Geometry & MOs

Info

ID:	150569
PubChem CID:	53790262
Reduced:	F2N2O6C39H44 (1)
Stoich.:	A2B2C6D39E44 (1)
Weight, g/mol:	319.037813
ΔH_f, kcal/mol:	-286.12
Dipole, Da:	3.44
IP(EA), eV:	-8.87(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2S)-2-amino-2-carboxyethyl]-4,5-dichlorophenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCCOCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5OC(F)F

DOS

IR

Vibrations