Geometry & MOs

Info

ID:	226514
PubChem CID:	87457736
Reduced:	F2H7C13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	519.03983
ΔH_f, kcal/mol:	-75.78
Dipole, Da:	2.39
IP(EA), eV:	-8.56(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[[3-[[5-bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]-methyl-lambda4-sulfanylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=CC=C(C3=C(C4=CC=CC=C42)C5=C(C=C(C=C5)F)F)F)F

DOS

IR

Vibrations