Geometry & MOs

Info

ID:	445977
PubChem CID:	135270853
Reduced:	S2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	345.112484
ΔH_f, kcal/mol:	124.42
Dipole, Da:	3.03
IP(EA), eV:	-8.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C=C(/C1=CSC2=C1SC=C2C3=CC=C(C=C3)C4=CN=CN4)\NC=C

DOS

IR

Vibrations