Geometry & MOs

Info

ID:	378017
PubChem CID:	134224085
Reduced:	ON3H33C41 (1)
Stoich.:	AB3C33D41 (1)
Weight, g/mol:	472.014825
ΔH_f, kcal/mol:	152.86
Dipole, Da:	5.88
IP(EA), eV:	-8.43(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-(4-chlorophenyl)-3-[C-(4-chlorophenyl)-N-methoxycarbonimidoyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(C=C(N=C1C2=CC=CC(=C2)C3=CN=C(C=C3)C4=CC=CC=C4OCC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations