Geometry & MOs

Info

ID:	60354
PubChem CID:	26683877
Reduced:	SO3N4H18C23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	312.127406
ΔH_f, kcal/mol:	-7.06
Dipole, Da:	6.97
IP(EA), eV:	-8.79(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations