Geometry & MOs

Info

ID:	219491
PubChem CID:	85148755
Reduced:	SO4N6H24C26 (1)
Stoich.:	AB4C6D24E26 (1)
Weight, g/mol:	516.259737
ΔH_f, kcal/mol:	-48.97
Dipole, Da:	1.87
IP(EA), eV:	-9.09(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-aminocyclohexyl)amino]-7-(3,5-dimethoxyanilino)-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

Drug info:

PubChemData

Smile

C1CC2=NC=C(C(=O)N2C1C(=O)NCC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations