Geometry & MOs

Info

ID:	66161
PubChem CID:	46500344
Reduced:	ClNOH19C20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	414.059362
ΔH_f, kcal/mol:	8.66
Dipole, Da:	3.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.433401
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-chloro-2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)chromen-4-imine

Drug info:

PubChemData

Smile

C1CCC(C1)[NH+]=C2C=C(OC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations