Geometry & MOs

Info

ID:	262591
PubChem CID:	103303103
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	298.063921
ΔH_f, kcal/mol:	-2.26
Dipole, Da:	6.07
IP(EA), eV:	-8.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,5-trifluorophenyl)methanol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NS(=O)(=O)C3=C(C=CC=N3)N

DOS

IR

Vibrations