Geometry & MOs

Info

ID:	289310
PubChem CID:	104344852
Reduced:	BrOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	318.060903
ΔH_f, kcal/mol:	23.53
Dipole, Da:	1.44
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)SC2=CC=CC=C2Br)N

DOS

IR

Vibrations