Geometry & MOs

Info

ID:	231776
PubChem CID:	87574643
Reduced:	NSO7C29H37 (1)
Stoich.:	ABC7D29E37 (1)
Weight, g/mol:	375.96296
ΔH_f, kcal/mol:	-289.29
Dipole, Da:	4.23
IP(EA), eV:	-9.43(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-bromopyridin-3-yl)methyl]-4-sulfanylidenepyrido[2,3-c]pyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1CCCC1(CCC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations