Geometry & MOs

Info

ID:	69359
PubChem CID:	46530836
Reduced:	F3N3O5C19H20 (1)
Stoich.:	A3B3C5D19E20 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-222.31
Dipole, Da:	6.18
IP(EA), eV:	-9.13(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(propan-2-yl)sulfamoyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC(F)F)OC)C2=CC(=CC=C2)F

DOS

IR

Vibrations