Geometry & MOs

Info

ID:	20858
PubChem CID:	586171
Reduced:	O7C20H26 (1)
Stoich.:	A7B20C26 (1)
Weight, g/mol:	378.167853
ΔH_f, kcal/mol:	-300.1
Dipole, Da:	4.14
IP(EA), eV:	-10.34(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,12,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate

Drug info:

PubChemData

Smile

CC12C3C(C45CC(=C)C(C4)(CCC5C3(CC(C1O)O)OC2=O)O)C(=O)OC

DOS

IR

Vibrations