Geometry & MOs

Info

ID:	210078
PubChem CID:	80758867
Reduced:	ClFNSO2H9C14 (1)
Stoich.:	ABCDE2F9G14 (1)
Weight, g/mol:	299.98222
ΔH_f, kcal/mol:	-81.95
Dipole, Da:	1.95
IP(EA), eV:	-8.94(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-2-fluorophenyl)-5-fluoropyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SC2=C(C=C3C(C(=O)NC3=C2)O)F)Cl

DOS

IR

Vibrations