Geometry & MOs

Info

ID:	51612
PubChem CID:	12014312
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	330.165351
ΔH_f, kcal/mol:	-128.02
Dipole, Da:	8.16
IP(EA), eV:	-8.95(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-4,4-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylpentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C=O)O)CC2=C(C(=CC(=C2)C)C=O)O

DOS

IR

Vibrations