Geometry & MOs

Info

ID:	135785
PubChem CID:	51935020
Reduced:	O3N4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	401.077848
ΔH_f, kcal/mol:	-9.8
Dipole, Da:	4.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768163
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N'-(1,3-benzodioxole-5-carbonyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations