Geometry & MOs

Info

ID:	54052
PubChem CID:	14719792
Reduced:	NSCl2O3H9C13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	420.8578
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	1.9
IP(EA), eV:	-9.41(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-1,3-thiazole-5-carbonyl)-6,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(OC2=C(C(=C(C=C21)C(=O)C3=NC=CS3)Cl)Cl)CO

DOS

IR

Vibrations