Geometry & MOs

Info

ID:	65093
PubChem CID:	29204457
Reduced:	N2O3S3C19H28 (1)
Stoich.:	A2B3C3D19E28 (1)
Weight, g/mol:	437.162057
ΔH_f, kcal/mol:	-125.57
Dipole, Da:	7.07
IP(EA), eV:	-8.42(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,3R)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCC[C@H]3CCSS3

DOS

IR

Vibrations