Geometry & MOs

Info

ID:	190679
PubChem CID:	78042439
Reduced:	FN3O5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	310.144119
ΔH_f, kcal/mol:	-225.43
Dipole, Da:	4.21
IP(EA), eV:	-9.61(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(1-hydroxypropyl)-4-methyloxolan-3-ol

Drug info:

PubChemData

Smile

CC(C1C(C(C(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)(C)F)O)O

DOS

IR

Vibrations