Geometry & MOs

Info

ID:	65178
PubChem CID:	29204575
Reduced:	ClN3O5C16H18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	367.093498
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	2.77
IP(EA), eV:	-9.96(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)NNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations