Geometry & MOs

Info

ID:	67977
PubChem CID:	46507537
Reduced:	FSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	447.134969
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	5.82
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]-5-methyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C(N(S(=O)(=O)C3=CC=CC=C32)CC4=CC=CC=C4)O)F

DOS

IR

Vibrations