Geometry & MOs

Info

ID:	168709
PubChem CID:	75005944
Reduced:	ClON2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	452.968604
ΔH_f, kcal/mol:	3.47
Dipole, Da:	6.48
IP(EA), eV:	-9.01(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-3-[3-(4-chloro-3-nitroanilino)-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=[N+](C=CC(=C1)C=CC2=CC=CC3=CC=CC=C32)C.[Cl-]

DOS

IR

Vibrations