Geometry & MOs

Info

ID:	65176
PubChem CID:	29204573
Reduced:	ClO2N5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	367.093498
ΔH_f, kcal/mol:	57.84
Dipole, Da:	3.93
IP(EA), eV:	-9.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N'-[2-[(1S,2R,3R)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetyl]benzohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)NNC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations