Geometry & MOs

Info

ID:	436099
PubChem CID:	135193831
Reduced:	FO4H9C18 (1)
Stoich.:	AB4C9D18 (1)
Weight, g/mol:	346.137616
ΔH_f, kcal/mol:	-114.67
Dipole, Da:	3.51
IP(EA), eV:	-8.89(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-carboxy-5-methyl-4-oxohexyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C3C(=C2)C=CC4=C3C(=O)C5=C(O4)C=CC(=C5)F

DOS

IR

Vibrations