Geometry & MOs

Info

ID:	210699
PubChem CID:	80841980
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	292.029793
ΔH_f, kcal/mol:	76.68
Dipole, Da:	3.0
IP(EA), eV:	-8.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC2=CC=CC=C2C(=N1)N3C(=C(C(=N3)C)C)C

DOS

IR

Vibrations