Geometry & MOs

Info

ID:	78327
PubChem CID:	49688251
Reduced:	SN2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	341.104542
ΔH_f, kcal/mol:	-160.62
Dipole, Da:	6.12
IP(EA), eV:	-8.95(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NCC2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations