Geometry & MOs

Info

ID:	402063
PubChem CID:	135054120
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	280.07693
ΔH_f, kcal/mol:	-104.77
Dipole, Da:	4.1
IP(EA), eV:	-9.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R,6R)-2,4-dihydroxy-3-methylidene-6-thiophen-2-ylcyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@]1([C@@H](C12O[C@@H](C[C@H](O2)C)C)C(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations