Geometry & MOs

Info

ID:	172973
PubChem CID:	75576748
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	464.204633
ΔH_f, kcal/mol:	-153.22
Dipole, Da:	1.29
IP(EA), eV:	-9.29(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13-acetyloxy-3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)O)O

DOS

IR

Vibrations