Geometry & MOs

Info

ID:	325946
PubChem CID:	126685726
Reduced:	O6C19H20 (1)
Stoich.:	A6B19C20 (1)
Weight, g/mol:	324.120903
ΔH_f, kcal/mol:	-174.15
Dipole, Da:	2.27
IP(EA), eV:	-9.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-ethoxycarbonyl-2-hydroxy-4-(4-hydroxy-3-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@H](CC(O1)(C(=O)OCC)O)C2=CC=C(C=C2)C#C

DOS

IR

Vibrations