Geometry & MOs

Info

ID:	200313
PubChem CID:	79376434
Reduced:	SN2O2C9H14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	308.06532
ΔH_f, kcal/mol:	-58.49
Dipole, Da:	8.25
IP(EA), eV:	-8.99(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)C)NCCOC

DOS

IR

Vibrations