Geometry & MOs

Info

ID:	16883
PubChem CID:	478431
Reduced:	SN3O4C27H39 (1)
Stoich.:	AB3C4D27E39 (1)
Weight, g/mol:	501.266128
ΔH_f, kcal/mol:	-142.63
Dipole, Da:	7.58
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-ethylcarbamate

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations