Geometry & MOs

Info

ID:	311264
PubChem CID:	126590101
Reduced:	FO2N3C37H48 (1)
Stoich.:	AB2C3D37E48 (1)
Weight, g/mol:	424.195799
ΔH_f, kcal/mol:	-91.37
Dipole, Da:	5.08
IP(EA), eV:	-8.54(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-carboxy-6-(pyridin-2-ylmethylamino)hexyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=C1N2CCC3(CCC3)CC2)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F)CNCC6CCOCC6)C

DOS

IR

Vibrations