Geometry & MOs

Info

ID:	158777
PubChem CID:	56468395
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	6.59
IP(EA), eV:	-10.01(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butylcyclopentyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1CCCC1NC(=O)C2=CC(=C(S2)C)[N+](=O)[O-]

DOS

IR

Vibrations