Geometry & MOs

Info

ID:	319141
PubChem CID:	126655114
Reduced:	ClNSO2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	214.066365
ΔH_f, kcal/mol:	-16.9
Dipole, Da:	3.11
IP(EA), eV:	-9.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 5-propylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CC1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)Cl

DOS

IR

Vibrations