Geometry & MOs

Info

ID:	378024
PubChem CID:	134224092
Reduced:	ClO2N3H22C35 (1)
Stoich.:	AB2C3D22E35 (1)
Weight, g/mol:	514.085098
ΔH_f, kcal/mol:	146.59
Dipole, Da:	0.94
IP(EA), eV:	-9.23(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-chlorobenzoyl)-1-(4-chlorophenyl)-6-pyridin-3-ylindole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC(=C3OCl)C4=CC=C(C=C4)C5=CN=CC=C5)C6=CC=C(C=C6)C7=CN=CC=C7

DOS

IR

Vibrations