Geometry & MOs

Info

ID:	39939
PubChem CID:	8143234
Reduced:	ON3C5H6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	400.02039
ΔH_f, kcal/mol:	52.77
Dipole, Da:	6.85
IP(EA), eV:	-9.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dichloro-3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]chromen-2-imine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N\NC2=NN=CN2N)O

DOS

IR

Vibrations