Geometry & MOs

Info

ID:	208746
PubChem CID:	80575412
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	308.06532
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	3.76
IP(EA), eV:	-8.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC2=NC(=CS2)CC(=O)OC

DOS

IR

Vibrations