Geometry & MOs

Info

ID:	65605
PubChem CID:	46386669
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	7.94
IP(EA), eV:	-8.51(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5,6-dimethyl-4-(3-methylsulfanylanilino)-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)C(=O)C

DOS

IR

Vibrations