Geometry & MOs

Info

ID:	197314
PubChem CID:	78951647
Reduced:	FNOS2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	258.107836
ΔH_f, kcal/mol:	-34.65
Dipole, Da:	3.03
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)SC2=NC=CS2)F)O

DOS

IR

Vibrations