Geometry & MOs

Info

ID:	180126
PubChem CID:	76582625
Reduced:	NO2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	472.156912
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	5.11
IP(EA), eV:	-9.93(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-diaminopenta-2,4-dienyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

C1C(=CC2=CC=CC=C2)C(=O)C3=C(O1)C=CN=C3

DOS

IR

Vibrations