Geometry & MOs

Info

ID:	13319
PubChem CID:	225484
Reduced:	O2C5H7 (4)
Stoich.:	A2B5C7 (4)
Weight, g/mol:	396.178418
ΔH_f, kcal/mol:	-348.6
Dipole, Da:	4.26
IP(EA), eV:	-9.6(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,8,16,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one

Drug info:

PubChemData

Smile

CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(C5O)O)C)C)O)O

DOS

IR

Vibrations