Geometry & MOs

Info

ID:	213588
PubChem CID:	81064298
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	271.102
ΔH_f, kcal/mol:	-149.65
Dipole, Da:	1.1
IP(EA), eV:	-9.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)/C=C/C1=CC=C(C=C1)C(=O)N

DOS

IR

Vibrations