Geometry & MOs

Info

ID:	200714
PubChem CID:	79431105
Reduced:	ClSO2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	358.01801
ΔH_f, kcal/mol:	-35.53
Dipole, Da:	2.64
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)CC(C3=CC(=CC=C3)Cl)C(=O)O

DOS

IR

Vibrations