Geometry & MOs

Info

ID:	406880
PubChem CID:	135078824
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	370.142508
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	6.07
IP(EA), eV:	-8.9(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-(phenylsulfanylmethyl)-2-[(E)-3-phenylsulfanylprop-2-enyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C2=CC=CC=C2)\OC

DOS

IR

Vibrations