Geometry & MOs

Info

ID:	16882
PubChem CID:	478427
Reduced:	SN3O4C31H39 (1)
Stoich.:	AB3C4D31E39 (1)
Weight, g/mol:	549.266128
ΔH_f, kcal/mol:	-102.95
Dipole, Da:	5.24
IP(EA), eV:	-8.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(CCN1CCC(CC1)N(CC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations