Geometry & MOs

Info

ID:	213461
PubChem CID:	81063821
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	285.11765
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	4.19
IP(EA), eV:	-8.67(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(2,4-difluorophenyl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1CC2=CC=CC=C2S1

DOS

IR

Vibrations