Geometry & MOs

Info

ID:	165654
PubChem CID:	74579876
Reduced:	ClN3O3H19C23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	366.091238
ΔH_f, kcal/mol:	27.2
Dipole, Da:	4.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.229839
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[2-(1,2-diphenylethylidene)hydrazinyl]-4-oxo-1,3-thiazol-5-yl]acetate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C[NH2+]C(C3=CC=CC=C3)C4=NN=C(O4)C5=CC=CC=C5Cl

DOS

IR

Vibrations