Geometry & MOs

Info

ID:	82587
PubChem CID:	49856214
Reduced:	SN5O5C27H29 (1)
Stoich.:	AB5C5D27E29 (1)
Weight, g/mol:	207.098097
ΔH_f, kcal/mol:	-117.46
Dipole, Da:	8.9
IP(EA), eV:	-8.39(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2,6-diaminohexanoic acid;hydrogen carbonate

Drug info:

PubChemData

Smile

C1CN=C(N1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C(=O)O)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations