Geometry & MOs

Info

ID:	217972
PubChem CID:	85088674
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	416.256274
ΔH_f, kcal/mol:	-95.08
Dipole, Da:	6.44
IP(EA), eV:	-8.69(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,15-dihydroxy-3,3',15-trimethyl-5'-(2-methylprop-1-enyl)spiro[12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-ene-6,2'-oxolane]-11-one

Drug info:

PubChemData

Smile

CCCC(C1=CC2=C(C=C1)C=C(C=C2)OC)(C(=O)O)N3CCC(CC3)(C)SN=O

DOS

IR

Vibrations