Geometry & MOs

Info

ID:	15810
PubChem CID:	451973
Reduced:	N3O5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	269.101171
ΔH_f, kcal/mol:	-199.92
Dipole, Da:	7.55
IP(EA), eV:	-9.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)CC(=O)O

DOS

IR

Vibrations