Geometry & MOs

Info

ID:	443420
PubChem CID:	135258946
Reduced:	N2O3C9H11 (2)
Stoich.:	A2B3C9D11 (2)
Weight, g/mol:	420.164499
ΔH_f, kcal/mol:	-212.76
Dipole, Da:	3.79
IP(EA), eV:	-9.32(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3-hydroxyoxolan-2-yl]methyl (2S)-2-amino-3-phenylmethoxypropanoate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC(=C2O)C(=O)N)COC(=O)[C@H](CC3=CC=CC=C3)N)O

DOS

IR

Vibrations