Geometry & MOs

Info

ID:	15202
PubChem CID:	433259
Reduced:	SO6C22H34 (1)
Stoich.:	AB6C22D34 (1)
Weight, g/mol:	426.20761
ΔH_f, kcal/mol:	-294.32
Dipole, Da:	4.24
IP(EA), eV:	-8.6(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(ethylsulfanylmethyl)-9,10,15,18-tetrahydroxy-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

Drug info:

PubChemData

Smile

CCSCC1C2CCC3C45COC(C3(C2O)C1=O)(C(C4C(CCC5O)(C)C)O)O

DOS

IR

Vibrations