Geometry & MOs

Info

ID:	146980
PubChem CID:	53776905
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	174.035065
ΔH_f, kcal/mol:	-77.35
Dipole, Da:	8.84
IP(EA), eV:	-8.46(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-5-methyl-2,3-dihydrothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)CCN(C=O)C2=CC3=C(C=C2)NC4=C3CC(CC4)N

DOS

IR

Vibrations