Geometry & MOs

Info

ID:	260677
PubChem CID:	103199637
Reduced:	BrClSN2O2H8C11 (1)
Stoich.:	ABCD2E2F8G11 (1)
Weight, g/mol:	276.056863
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	2.84
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(1,3-dihydro-2-benzofuran-5-yl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=N1)C2=C(C=CC(=C2)Br)Cl)N

DOS

IR

Vibrations