Geometry & MOs

Info

ID:	329176
PubChem CID:	126731533
Reduced:	SO3F5N7H20C25 (1)
Stoich.:	AB3C5D7E20F25 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-224.24
Dipole, Da:	5.47
IP(EA), eV:	-7.9(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pentoxy-7H-pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCN=C/C(=C\N)/NC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=CC(=C3F)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations