Geometry & MOs

Info

ID:	260679
PubChem CID:	103199672
Reduced:	SF2N3O4H7C11 (1)
Stoich.:	AB2C3D4E7F11 (1)
Weight, g/mol:	300.03802
ΔH_f, kcal/mol:	-125.55
Dipole, Da:	1.3
IP(EA), eV:	-8.9(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-[4-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations