Geometry & MOs

Info

ID:	306640
PubChem CID:	125093188
Reduced:	ClFSN3O4C29H33 (1)
Stoich.:	ABCD3E4F29G33 (1)
Weight, g/mol:	585.20642
ΔH_f, kcal/mol:	-175.13
Dipole, Da:	1.67
IP(EA), eV:	-9.55(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-3-phenylpropanamide

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@H](C)NC(=O)[C@H](C)N(CC1=CC=C(C=C1)F)C(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)Cl

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@H](C)NC(=O)[C@H](C)N(CC1=CC=C(C=C1)F)C(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):