Geometry & MOs

Info

ID:	128885
PubChem CID:	51061992
Reduced:	Cl2O2N3H15C20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	444.98442
ΔH_f, kcal/mol:	18.3
Dipole, Da:	4.69
IP(EA), eV:	-9.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(Z)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations