Geometry & MOs

Info

ID:	20379
PubChem CID:	583464
Reduced:	S2O4C25H36 (1)
Stoich.:	A2B4C25D36 (1)
Weight, g/mol:	464.205502
ΔH_f, kcal/mol:	-189.26
Dipole, Da:	3.95
IP(EA), eV:	-8.56(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11'-hydroxy-15'-methoxy-5',14',14'-trimethylspiro[1,3-dithiane-2,7'-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadec-12-ene]-6'-one

Drug info:

PubChemData

Smile

CC1(C2=CC(C3C(C24CCC1(OC4)OC)CCC5(C3CC6(C5=O)SCCCS6)C)O)C

DOS

IR

Vibrations