Geometry & MOs

Info

ID:	297089
PubChem CID:	117608333
Reduced:	BrO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	398.049191
ΔH_f, kcal/mol:	79.16
Dipole, Da:	3.33
IP(EA), eV:	-8.71(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one

Drug info:

PubChemData

Smile

CN(C)CCONC1=C(NC2=CC=CC=C21)C3=C4C=C(C=CC4=NC3=O)Br

DOS

IR

Vibrations