Geometry & MOs

Info

ID:	202840
PubChem CID:	79732962
Reduced:	OSF2H8C12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	292.073343
ΔH_f, kcal/mol:	-80.49
Dipole, Da:	3.12
IP(EA), eV:	-9.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-difluoro-5-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(=O)C2=CC=CS2

DOS

IR

Vibrations