Geometry & MOs

Info

ID:	392991
PubChem CID:	135018842
Reduced:	ClSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-83.44
Dipole, Da:	1.61
IP(EA), eV:	-9.2(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-3-phenylpentane-1,3-diol

Drug info:

PubChemData

Smile

COC(=O)C1(CC(C1)(C2=CC=CS2)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations