Geometry & MOs

Info

ID:	303492
PubChem CID:	124489814
Reduced:	ON2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	55.75
Dipole, Da:	5.62
IP(EA), eV:	-9.28(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC=C[C@@H](C1)C2=C3C=CC=CC3=NC(=O)C=N2

DOS

IR

Vibrations