Geometry & MOs

Info

ID:	377977
PubChem CID:	134224044
Reduced:	NO7C25H31 (1)
Stoich.:	AB7C25D31 (1)
Weight, g/mol:	486.93776
ΔH_f, kcal/mol:	-254.11
Dipole, Da:	15.87
IP(EA), eV:	-8.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(4-chlorobenzoyl)-1-(4-chlorophenyl)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(COC)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OC4CC(C4)OC

DOS

IR

Vibrations