Geometry & MOs

Info

ID:	61565
PubChem CID:	26710554
Reduced:	FSN2O6C23H23 (1)
Stoich.:	ABC2D6E23F23 (1)
Weight, g/mol:	343.13322
ΔH_f, kcal/mol:	-217.86
Dipole, Da:	4.87
IP(EA), eV:	-8.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=C(C=C(C=C3)OC)OC)F

DOS

IR

Vibrations