Geometry & MOs

Info

ID:	67930
PubChem CID:	46507450
Reduced:	SF2N2O3H16C21 (1)
Stoich.:	AB2C2D3E16F21 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-140.55
Dipole, Da:	4.29
IP(EA), eV:	-9.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[(3-methylbenzoyl)amino]-N-prop-2-enyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations