Geometry & MOs

Info

ID:	216847
PubChem CID:	85086874
Reduced:	SO4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	308.198759
ΔH_f, kcal/mol:	-115.48
Dipole, Da:	2.9
IP(EA), eV:	-8.62(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-[8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]oxolan-2-one

Drug info:

PubChemData

Smile

COCOCC1C(C2C=C(C1O2)SC3=CC=CC=C3)CO

DOS

IR

Vibrations