Geometry & MOs

Info

ID:

306469

PubChem CID:

125081915

Reduced:

SN3Cl4O4C29H31 (1)

Stoich.:

AB3C4D4E29F31 (1)

Weight, g/mol:

659.075988

ΔHf, kcal/mol:

-142.9

Dipole, Da:

7.62

IP(EA), eV:

 -9.04(-1.24)

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-[(2R)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations