Geometry & MOs

Info

ID:	128657
PubChem CID:	51053416
Reduced:	ClO2N4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	349.107399
ΔH_f, kcal/mol:	-56.1
Dipole, Da:	1.41
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(C)C)C)NC(=O)C(=O)NCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations