Geometry & MOs

Info

ID:	65606
PubChem CID:	46386670
Reduced:	SO2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	478.10044
ΔH_f, kcal/mol:	9.49
Dipole, Da:	6.3
IP(EA), eV:	-8.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-bromo-3-methylanilino)-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C2C(=C(N(C2=N1)C3=CC=CC=C3)C)C)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations