Geometry & MOs

Info

ID:	64498
PubChem CID:	29201721
Reduced:	S2N3O4C21H29 (1)
Stoich.:	A2B3C4D21E29 (1)
Weight, g/mol:	338.103335
ΔH_f, kcal/mol:	-159.88
Dipole, Da:	2.1
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[(1R,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations