Geometry & MOs

Info

ID:	200320
PubChem CID:	79376441
Reduced:	ClSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	294.083827
ΔH_f, kcal/mol:	-45.53
Dipole, Da:	3.69
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(4-fluorophenyl)methylamino]-3-methyl-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SN=C1C)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations