Geometry & MOs

Info

ID:

306630

PubChem CID:

125092938

Reduced:

SN4O6C35H36 (1)

Stoich.:

AB4C6D35E36 (1)

Weight, g/mol:

627.261436

ΔHf, kcal/mol:

-84.02

Dipole, Da:

7.48

IP(EA), eV:

 -9.31(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[benzyl-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetyl]amino]-N-tert-butylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@@H](CC2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)CN(C4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations