Geometry & MOs

Info

ID:	168866
PubChem CID:	75029930
Reduced:	NaO2N3C5H10 (1)
Stoich.:	AB2C3D5E10 (1)
Weight, g/mol:	561.09706
ΔH_f, kcal/mol:	-36.36
Dipole, Da:	4.92
IP(EA), eV:	-7.37(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichlorobenzoyl)amino]-3-[4-(5-indazol-1-yl-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)N(N=O)[O-].[Na+]

DOS

IR

Vibrations