Geometry & MOs

Info

ID:	19842
PubChem CID:	573972
Reduced:	SO2N5H13C21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	399.078996
ΔH_f, kcal/mol:	124.02
Dipole, Da:	6.12
IP(EA), eV:	-9.18(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-yl)-2-phenyl-6-(thiophene-2-carbonyl)pyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C(=CC(=N2)C(=O)C3=CC=CS3)N4C5=CC=CC=C5N=N4

DOS

IR

Vibrations