Geometry & MOs

Info

ID:	260675
PubChem CID:	103199585
Reduced:	FSN3O4H8C11 (1)
Stoich.:	ABC3D4E8F11 (1)
Weight, g/mol:	282.022977
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	5.8
IP(EA), eV:	-9.24(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(2-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=N1)C2=C(C=C(C=C2)[N+](=O)[O-])F)N

DOS

IR

Vibrations