Geometry & MOs

Info

ID:	81757
PubChem CID:	49855105
Reduced:	SCl2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	398.202799
ΔH_f, kcal/mol:	-167.48
Dipole, Da:	4.02
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1-methylpiperidin-3-yl)methyl]-2-phenyl-N-(2-phenylethyl)ethenesulfonamide

Drug info:

PubChemData

Smile

CCC(COC1=CC(=C(C=C1)Cl)Cl)CSC2=CC(=C(C=C2)OC(C)(C)C(=O)O)C

DOS

IR

Vibrations