Geometry & MOs

Info

ID:	54051
PubChem CID:	14719783
Reduced:	BrNSiCl2O3C21H24 (1)
Stoich.:	ABCD2E3F21G24 (1)
Weight, g/mol:	328.96802
ΔH_f, kcal/mol:	-145.7
Dipole, Da:	5.36
IP(EA), eV:	-9.09(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,7-dichloro-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-(1,3-thiazol-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1CC2=CC(=C(C(=C2O1)Cl)Cl)C(=O)C3=C(N=CC=C3)Br

DOS

IR

Vibrations