Geometry & MOs

Info

ID:	311256
PubChem CID:	126590075
Reduced:	FN2O3C34H41 (1)
Stoich.:	AB2C3D34E41 (1)
Weight, g/mol:	419.19038
ΔH_f, kcal/mol:	-155.08
Dipole, Da:	4.97
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-carboxy-5-[2-(hydroxymethyl)butanoylamino]pentyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC5(C4)CCCC5)CC(=O)OC(C)C

DOS

IR

Vibrations