Geometry & MOs

Info

ID:	62322
PubChem CID:	26719231
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	492.146741
ΔH_f, kcal/mol:	56.77
Dipole, Da:	2.9
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4)C

DOS

IR

Vibrations