Geometry & MOs

Info

ID:	46161
PubChem CID:	10522679
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	362.101037
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	1.99
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,3R)-2-(4-methylphenyl)sulfanyl-1-phenylpent-1-en-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

[3H]C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(C)CNS(=O)(=O)C(C)C

DOS

IR

Vibrations