Geometry & MOs

Info

ID:	7378
PubChem CID:	72305
Reduced:	N4O5C11H14 (1)
Stoich.:	A4B5C11D14 (1)
Weight, g/mol:	282.09642
ΔH_f, kcal/mol:	-161.66
Dipole, Da:	10.62
IP(EA), eV:	-8.87(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations