Geometry & MOs

Info

ID:	62431
PubChem CID:	26719712
Reduced:	SN4O6H22C24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	494.126006
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	4.14
IP(EA), eV:	-8.42(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-[(4-nitrophenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations