Geometry & MOs

Info

ID:	21198
PubChem CID:	587612
Reduced:	O5C27H40 (1)
Stoich.:	A5B27C40 (1)
Weight, g/mol:	444.287574
ΔH_f, kcal/mol:	-149.94
Dipole, Da:	6.85
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-20-one

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CC(C5C4C(=O)C=C6C5(CCC(C6)O)C)O)C)C)OC1

DOS

IR

Vibrations