Geometry & MOs

Info

ID:	34904
PubChem CID:	7979072
Reduced:	ClN4O5H13C16 (1)
Stoich.:	AB4C5D13E16 (1)
Weight, g/mol:	401.114234
ΔH_f, kcal/mol:	-63.19
Dipole, Da:	6.55
IP(EA), eV:	-9.84(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)NNC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations