Geometry & MOs

Info

ID:	303493
PubChem CID:	124489816
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	1.2
IP(EA), eV:	-9.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,5S)-2,5-diamino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)[C@@H](C1=CN=CN1)[C@@H](C(=O)O)N)N

DOS

IR

Vibrations