Geometry & MOs

Info

ID:	132308
PubChem CID:	51341281
Reduced:	ClSN4O7C54H55 (1)
Stoich.:	ABC4D7E54F55 (1)
Weight, g/mol:	643.248936
ΔH_f, kcal/mol:	-185.43
Dipole, Da:	7.77
IP(EA), eV:	-8.73(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)OC(=O)[C@H](CCCN=C(N)NS(=O)(=O)C4=C(C5=C(C(=C4C)C)OC(C5)(C)C)C)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)OC(=O)[C@H](CCCN=C(N)NS(=O)(=O)C4=C(C5=C(C(=C4C)C)OC(C5)(C)C)C)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):