Geometry & MOs

Info

ID:	58386
PubChem CID:	24698120
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	267.090686
ΔH_f, kcal/mol:	-50.91
Dipole, Da:	4.46
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)C2=CC=CC(=C2)C(=S)N

DOS

IR

Vibrations