Geometry & MOs

Info

ID:	230559
PubChem CID:	87571358
Reduced:	ON6H26C27 (1)
Stoich.:	AB6C26D27 (1)
Weight, g/mol:	390.175064
ΔH_f, kcal/mol:	134.91
Dipole, Da:	15.46
IP(EA), eV:	-7.86(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CN(C)CCC1=CC(=CC=C1)NC2=NC=C/C(=C/3\C(=C4C=CC(=O)C=C4)N=C5N3C=CC=C5)/N2

DOS

IR

Vibrations