Geometry & MOs

Info

ID:	62430
PubChem CID:	26719711
Reduced:	ClO2N5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	494.126006
ΔH_f, kcal/mol:	28.62
Dipole, Da:	3.55
IP(EA), eV:	-8.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC=C(C=C1)OC)N2N=C(N=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations