Geometry & MOs

Info

ID:	158090
PubChem CID:	56462866
Reduced:	SF2O3N4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	401.0539
ΔH_f, kcal/mol:	-160.78
Dipole, Da:	4.62
IP(EA), eV:	-9.41(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F

DOS

IR

Vibrations