Geometry & MOs

Info

ID:	443419
PubChem CID:	135258945
Reduced:	N4O5C18H22 (1)
Stoich.:	A4B5C18D22 (1)
Weight, g/mol:	390.153934
ΔH_f, kcal/mol:	-172.13
Dipole, Da:	3.9
IP(EA), eV:	-9.24(-0.08)
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-phenylpropanoate

Drug info:

PubChemData

Smile

C1CC(OC1COC(=O)C(CC2=CC=CC=C2)N)N3C=NC(=C3O)C(=O)N

DOS

IR

Vibrations