Geometry & MOs

Info

ID:	62233
PubChem CID:	26718484
Reduced:	ClN4O6H17C19 (1)
Stoich.:	AB4C6D17E19 (1)
Weight, g/mol:	402.073097
ΔH_f, kcal/mol:	-99.94
Dipole, Da:	4.44
IP(EA), eV:	-9.42(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2-chlorophenyl)-N'-(3-nitrobenzoyl)-5-oxopyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations