Geometry & MOs

Info

ID:	64482
PubChem CID:	29201458
Reduced:	SN3O6C21H29 (1)
Stoich.:	AB3C6D21E29 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-254.39
Dipole, Da:	7.08
IP(EA), eV:	-9.5(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-3-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2C[C@]3(C[C@@H]2CC(C3)(C)C)C

DOS

IR

Vibrations