Geometry & MOs

Info

ID:	328192
PubChem CID:	126696262
Reduced:	SO2N4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	398.185509
ΔH_f, kcal/mol:	-7.23
Dipole, Da:	3.76
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylimidazolidin-2-one

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)C3=CC(=CC=C3)S(=N)(=O)C)N=C(C1)N

DOS

IR

Vibrations