Geometry & MOs

Info

ID:	43457
PubChem CID:	10321328
Reduced:	ION4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	444.99834
ΔH_f, kcal/mol:	55.66
Dipole, Da:	3.11
IP(EA), eV:	-8.63(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-phenyl-1,3-thiazole-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)NC(=O)C3=NNC4=C3C=C(C=C4)I

DOS

IR

Vibrations