Geometry & MOs

Info

ID:	21071
PubChem CID:	587096
Reduced:	SO3C7H8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	172.019415
ΔH_f, kcal/mol:	-102.68
Dipole, Da:	3.68
IP(EA), eV:	-9.58(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(hydroxymethyl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CSC=C1CO

DOS

IR

Vibrations