Geometry & MOs

Info

ID:

306598

PubChem CID:

125092008

Reduced:

ClSN3O4C25H34 (1)

Stoich.:

ABC3D4E25F34 (1)

Weight, g/mol:

619.167448

ΔHf, kcal/mol:

-171.6

Dipole, Da:

2.04

IP(EA), eV:

 -8.99(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations