Geometry & MOs

Info

ID:	59635
PubChem CID:	24891045
Reduced:	FSO3N4C25H27 (1)
Stoich.:	ABC3D4E25F27 (1)
Weight, g/mol:	320.056385
ΔH_f, kcal/mol:	-101.35
Dipole, Da:	4.72
IP(EA), eV:	-8.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1NCC2=CC3=C(C=N2)OCCS3)CC4(CN5C(=O)C=CC6=C5C4=C(C=C6)F)O

DOS

IR

Vibrations