Geometry & MOs

Info

ID:	169792
PubChem CID:	75148989
Reduced:	O3C19H24 (2)
Stoich.:	A3B19C24 (2)
Weight, g/mol:	302.134051
ΔH_f, kcal/mol:	-217.4
Dipole, Da:	6.28
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)sulfanyl-3-methoxy-1-phenylpropan-2-ol

Drug info:

PubChemData

Smile

CC(=CCC12C(=O)C3(CC(C1(C)C)C(C(C3=O)(C2=O)C(=O)C4=CC(=C(C=C4)O)O)C=C(C)C)CC(CCC(=C)C)C(=C)C)C

DOS

IR

Vibrations