Geometry & MOs

Info

ID:	12283
PubChem CID:	134135
Reduced:	NO3C5H7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	258.085186
ΔH_f, kcal/mol:	-237.91
Dipole, Da:	7.98
IP(EA), eV:	-10.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-[(4R,5S)-1-acetyl-5-formyl-2-methyl-4,5-dihydroimidazol-4-yl]-2,3-dihydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=N[C@H]([C@H](N1C(=O)C)C=O)[C@@H]([C@@H](C(=O)O)O)O

DOS

IR

Vibrations