Geometry & MOs

Info

ID:	44994
PubChem CID:	10507068
Reduced:	SN5O7C26H33 (1)
Stoich.:	AB5C7D26E33 (1)
Weight, g/mol:	559.235222
ΔH_f, kcal/mol:	-248.76
Dipole, Da:	8.57
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methylsulfonyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]carbamate

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

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)NCC(C2)CCC3=CC=C(S3)C(=O)N4[C@H](C[C@@H]4C(=O)OC)C(=O)OC

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

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)NCC(C2)CCC3=CC=C(S3)C(=O)N4[C@H](C[C@@H]4C(=O)OC)C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):