Geometry & MOs

Info

ID:	128654
PubChem CID:	51053349
Reduced:	FON4H17C19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	379.100205
ΔH_f, kcal/mol:	24.66
Dipole, Da:	3.78
IP(EA), eV:	-8.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC1(CC2=C(C(N3C(=N2)C(=CN3)C#N)C4=CC=CC=C4F)C(=O)C1)C

DOS

IR

Vibrations