Geometry & MOs

Info

ID:	406775
PubChem CID:	135078592
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	328.188589
ΔH_f, kcal/mol:	-59.1
Dipole, Da:	4.08
IP(EA), eV:	-9.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-tert-butyl 4-O-ethyl (3R,4R)-2-hydroxy-6-methyl-3-propyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C/C=C/C=O)/C=C/C(=O)C1=CC=CO1

DOS

IR

Vibrations