Geometry & MOs

Info

ID:	260678
PubChem CID:	103199650
Reduced:	SN2O3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	315.012533
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	3.83
IP(EA), eV:	-8.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(4,5-difluoro-2-nitrophenyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=N1)C2=CC3=C(COC3)C=C2)N

DOS

IR

Vibrations