Geometry & MOs

Info

ID:

306608

PubChem CID:

125092338

Reduced:

ISCl2N3O4C24H30 (1)

Stoich.:

ABC2D3E4F24G30 (1)

Weight, g/mol:

699.133955

ΔHf, kcal/mol:

-153.6

Dipole, Da:

6.18

IP(EA), eV:

 -8.73(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide

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)I)S(=O)(=O)C

DOS

IR

Vibrations