Geometry & MOs

Info

ID:

306468

PubChem CID:

125081914

Reduced:

SCl2N3O4C27H37 (1)

Stoich.:

AB2C3D4E27F37 (1)

Weight, g/mol:

659.075988

ΔHf, kcal/mol:

-187.46

Dipole, Da:

8.09

IP(EA), eV:

 -8.8(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations