Geometry & MOs

Info

ID:	264718
PubChem CID:	103485311
Reduced:	ClNSO4C14H14 (1)
Stoich.:	ABCD4E14F14 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-116.6
Dipole, Da:	6.85
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-thiazol-4-yl]propanoate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=NC(=CS2)CCC(=O)O)Cl)OC

DOS

IR

Vibrations