Geometry & MOs

Info

ID:	173738
PubChem CID:	75677078
Reduced:	O2S2N9H14C17 (1)
Stoich.:	A2B2C9D14E17 (1)
Weight, g/mol:	407.139567
ΔH_f, kcal/mol:	125.75
Dipole, Da:	8.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.108598
Charge, e:	-1

Chem-info

IUPAC name:

4-[3-(4-methoxyphenyl)prop-2-enoyl]-5,6-diphenylpyridazin-3-olate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=C(C(=[N+]3C(=N2)C(=NNC4=CC=C(C=C4)S(=O)(=O)N)C(=N3)N)N)C#N

DOS

IR

Vibrations