Geometry & MOs

Info

ID:	234544
PubChem CID:	92298656
Reduced:	ClO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	24.54
Dipole, Da:	6.86
IP(EA), eV:	-8.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)NC2=CC=CC=C2)C3=NC(=NO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations