Geometry & MOs

Info

ID:	59726
PubChem CID:	24894997
Reduced:	N2O5H26C28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	391.100205
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	5.52
IP(EA), eV:	-8.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[4-[(2-fluorophenyl)methylsulfanyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=C(CNC2=O)C3=CN(C4=CC=CC=C43)COC5=CC=CC=C5

DOS

IR

Vibrations