Geometry & MOs

Info

ID:	381900
PubChem CID:	134972762
Reduced:	IO6H17C20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	322.142508
ΔH_f, kcal/mol:	-137.61
Dipole, Da:	5.64
IP(EA), eV:	-8.22(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-8-(3-methoxy-5-methylphenyl)-8,9,9-trimethyl-1,4-dithiaspiro[4.4]nonane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C\2/C(=C(C(=O)O2)C3=CC(=C(C=C3I)OC)OC)O

DOS

IR

Vibrations