Geometry & MOs

Info

ID:	53214
PubChem CID:	14709794
Reduced:	SO2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	240.118401
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	3.52
IP(EA), eV:	-8.21(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7,7-dimethyl-1-[[(R)-propa-1,2-dienylsulfinyl]methyl]bicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)O)CS(=O)C=C=C)C

DOS

IR

Vibrations