Geometry & MOs

Info

ID:	15922
PubChem CID:	455261
Reduced:	O5C20H26 (1)
Stoich.:	A5B20C26 (1)
Weight, g/mol:	346.178024
ΔH_f, kcal/mol:	-225.75
Dipole, Da:	5.26
IP(EA), eV:	-8.9(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S,9S)-3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C2C(=C1)[C@@H]([C@@H]3C4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O

DOS

IR

Vibrations