Geometry & MOs

Info

ID:	157394
PubChem CID:	56423644
Reduced:	BrNSO4H14C15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	403.110296
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	4.41
IP(EA), eV:	-8.71(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-oxo-1-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNS(=O)(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations