Geometry & MOs

Info

ID:	378102
PubChem CID:	134224173
Reduced:	NOH21C31 (1)
Stoich.:	ABC21D31 (1)
Weight, g/mol:	457.999175
ΔH_f, kcal/mol:	141.39
Dipole, Da:	2.65
IP(EA), eV:	-8.14(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CC=C2C1C(=O)N3C4=C(C=C(C=C4)C5=CC=CC=C5)C6=C3C2=CC(=C6)C7=CC=CC=C7

DOS

IR

Vibrations