Geometry & MOs

Info

ID:	67981
PubChem CID:	46507541
Reduced:	FSN2O4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	477.145534
ΔH_f, kcal/mol:	-131.52
Dipole, Da:	3.88
IP(EA), eV:	-9.07(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations