Geometry & MOs

Info

ID:	59068
PubChem CID:	24770731
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	474.37091
ΔH_f, kcal/mol:	-52.59
Dipole, Da:	2.74
IP(EA), eV:	-8.17(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4R,5S,6R,8S,11S,12S,15R,16R)-15-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,5,6-triol

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OC)CC=C

DOS

IR

Vibrations