Geometry & MOs

Info

ID:	398015
PubChem CID:	135031370
Reduced:	ON2F4H8C10 (1)
Stoich.:	AB2C4D8E10 (1)
Weight, g/mol:	450.016989
ΔH_f, kcal/mol:	-165.98
Dipole, Da:	0.06
IP(EA), eV:	-10.38(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[3,5-bis(pentafluoro-lambda6-sulfanyl)phenyl]-1-phenylethanol

Drug info:

PubChemData

Smile

CC(=O)N(CC=C)C1=C(C(=NC(=C1F)F)F)F

DOS

IR

Vibrations