Geometry & MOs

Info

ID:	150483
PubChem CID:	53790174
Reduced:	OCl2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	15.05
Dipole, Da:	1.92
IP(EA), eV:	-9.85(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-benzyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-5-yl)-2-oxobutanamide

Drug info:

PubChemData

Smile

CCC=CC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations