Geometry & MOs

Info

ID:	213268
PubChem CID:	81063290
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	317.089721
ΔH_f, kcal/mol:	-169.26
Dipole, Da:	6.09
IP(EA), eV:	-9.9(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations