Geometry & MOs

Info

ID:	32112
PubChem CID:	4266096
Reduced:	OCl2N7C20H25 (1)
Stoich.:	AB2C7D20E25 (1)
Weight, g/mol:	406.073576
ΔH_f, kcal/mol:	24.53
Dipole, Da:	5.96
IP(EA), eV:	-8.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[methyl-[(4-nitrophenyl)methylideneamino]amino]-1,3-thiazol-4-yl]chromen-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=C(C(=CC(=C3)Cl)Cl)O)N4CCCCC4

DOS

IR

Vibrations