Geometry & MOs

Info

ID:	180634
PubChem CID:	76663274
Reduced:	N2O2C11H15 (2)
Stoich.:	A2B2C11D15 (2)
Weight, g/mol:	477.163474
ΔH_f, kcal/mol:	-130.85
Dipole, Da:	4.35
IP(EA), eV:	-8.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2-phenylethenesulfonamide

Drug info:

PubChemData

Smile

CN1C2CCCC1CC(C2)NC(=O)C3=C4C(=CC=C3)OC(=N4)N5CCOCC5CO

DOS

IR

Vibrations