Geometry & MOs

Info

ID:

306533

PubChem CID:

125085910

Reduced:

SN3O4C38H45 (1)

Stoich.:

AB3C4D38E45 (1)

Weight, g/mol:

767.219877

ΔHf, kcal/mol:

-116.07

Dipole, Da:

8.11

IP(EA), eV:

 -9.12(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN([C@H](CC2=CC=CC=C2)C(=O)NCC(C)C)C(=O)CN(C3=C(C=C(C=C3)C)C)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations