Geometry & MOs

Info

ID:	148724
PubChem CID:	53788393
Reduced:	F3S3O5N10H17C18 (1)
Stoich.:	A3B3C5D10E17F18 (1)
Weight, g/mol:	226.006454
ΔH_f, kcal/mol:	-125.67
Dipole, Da:	7.15
IP(EA), eV:	-9.59(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dichlorophenyl)-3,4-dihydropyridazine

Drug info:

PubChemData

Smile

C=CCN1C(=NN=N1)SCC2=C(N3[C@H](C(C3=O)NC(=O)C(=NOCC(F)(F)F)C4=NSC(=N4)N)SC2)C(=O)O

DOS

IR

Vibrations