Geometry & MOs

Info

ID:	54054
PubChem CID:	14719815
Reduced:	ClNO2H5C7 (2)
Stoich.:	ABC2D5E7 (2)
Weight, g/mol:	434.87345
ΔH_f, kcal/mol:	-97.5
Dipole, Da:	3.15
IP(EA), eV:	-9.94(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)C2=C(C(=C3C(=C2)CC(O3)C(=O)O)Cl)Cl

DOS

IR

Vibrations