Geometry & MOs

Info

ID:

306478

PubChem CID:

125081929

Reduced:

SN3O4C32H41 (1)

Stoich.:

AB3C4D32E41 (1)

Weight, g/mol:

649.178013

ΔHf, kcal/mol:

-147.49

Dipole, Da:

9.59

IP(EA), eV:

 -8.88(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CCC1=CC=CC=C1)C(=O)CN(C2=C(C=C(C=C2)C)C)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations