Geometry & MOs

Info

ID:	34905
PubChem CID:	7979073
Reduced:	ClN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	401.114234
ΔH_f, kcal/mol:	-106.37
Dipole, Da:	7.29
IP(EA), eV:	-8.44(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)NNC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations