Geometry & MOs

Info

ID:	226490
PubChem CID:	87457537
Reduced:	PO3C42H79 (1)
Stoich.:	AB3C42D79 (1)
Weight, g/mol:	564.06129
ΔH_f, kcal/mol:	-330.53
Dipole, Da:	4.57
IP(EA), eV:	-9.93(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-bromo-2-[4-[S-methyl-N-(4-methylphenyl)sulfonylsulfinimidoyl]anilino]pyrimidin-4-yl]amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOP(=O)(C1=CC=CC=C1)OCCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations