Geometry & MOs

Info

ID:	4026
PubChem CID:	10611
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-204.31
Dipole, Da:	6.75
IP(EA), eV:	-9.3(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-7-(dihydroxymethylidene)-3,4,5-trimethyl-3,4-dihydroisochromene-6,8-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](OC=C2C1=C(C(=O)C(=C(O)O)C2=O)C)C

DOS

IR

Vibrations