Geometry & MOs

Info

ID:	45651
PubChem CID:	10516062
Reduced:	SO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	268.203845
ΔH_f, kcal/mol:	-128.83
Dipole, Da:	6.28
IP(EA), eV:	-8.74(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R,7S,8S,9S)-1-methoxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-7,9-diol

Drug info:

PubChemData

Smile

CCCCC(CC(=O)O)SC1=CC=C(C=C1)OC

DOS

IR

Vibrations