Geometry & MOs

Info

ID:	246171
PubChem CID:	103047815
Reduced:	ClOF2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	320.043792
ΔH_f, kcal/mol:	-120.23
Dipole, Da:	2.66
IP(EA), eV:	-9.62(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)propan-2-ol

Drug info:

PubChemData

Smile

CCC(CC1=C(C=CC(=C1)Cl)F)(C2=CC(=CC=C2)F)O

DOS

IR

Vibrations