Geometry & MOs

Info

ID:	165837
PubChem CID:	74604012
Reduced:	BrFO3N4H14C20 (1)
Stoich.:	ABC3D4E14F20 (1)
Weight, g/mol:	409.124232
ΔH_f, kcal/mol:	-38.49
Dipole, Da:	4.53
IP(EA), eV:	-9.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N3C1=NN=C3COC(=O)C=CC4=C(C=CC(=C4)Br)F

DOS

IR

Vibrations