Geometry & MOs

Info

ID:	186203
PubChem CID:	77403115
Reduced:	SO3C20H22 (1)
Stoich.:	AB3C20D22 (1)
Weight, g/mol:	372.193674
ΔH_f, kcal/mol:	-63.24
Dipole, Da:	2.94
IP(EA), eV:	-8.73(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(ethoxymethoxymethyl)-5-hydroxy-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-4-en-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=C(C3C4C=C(C(C3C2=O)(O4)C)SC)O)C

DOS

IR

Vibrations