Geometry & MOs

Info

ID:	60609
PubChem CID:	26697273
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-166.8
Dipole, Da:	9.44
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations