Geometry & MOs

Info

ID:	410702
PubChem CID:	135083503
Reduced:	N3O8C10H15 (1)
Stoich.:	A3B8C10D15 (1)
Weight, g/mol:	275.07535
ΔH_f, kcal/mol:	-320.32
Dipole, Da:	8.16
IP(EA), eV:	-9.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(N=C(NC2=O)N)O)O)O)O)O

DOS

IR

Vibrations