Geometry & MOs

Info

ID:	61559
PubChem CID:	26710450
Reduced:	FNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	440.02055
ΔH_f, kcal/mol:	-113.24
Dipole, Da:	5.89
IP(EA), eV:	-8.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-fluoro-4-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3)F

DOS

IR

Vibrations