Geometry & MOs

Info

ID:	65094
PubChem CID:	29204459
Reduced:	SN3O6C20H27 (1)
Stoich.:	AB3C6D20E27 (1)
Weight, g/mol:	437.162057
ΔH_f, kcal/mol:	-173.55
Dipole, Da:	5.28
IP(EA), eV:	-9.19(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations