Geometry & MOs

Info

ID:	313649
PubChem CID:	126616793
Reduced:	SCl2O2F3N3H26C29 (1)
Stoich.:	AB2C2D3E3F26G29 (1)
Weight, g/mol:	267.077454
ΔH_f, kcal/mol:	-137.69
Dipole, Da:	5.41
IP(EA), eV:	-8.88(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-chloro-6-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate

Drug info:

PubChemData

Smile

C1CC1N2C3=C(C=C(C=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C(=N2)C6CCN(CC6)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations