Geometry & MOs

Info

ID:	205854
PubChem CID:	80165184
Reduced:	FSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	298.063921
ΔH_f, kcal/mol:	-98.09
Dipole, Da:	3.11
IP(EA), eV:	-9.47(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylphenyl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(C)O)SC2=NC=CC(=O)N2

DOS

IR

Vibrations