Geometry & MOs

Info

ID:	43627
PubChem CID:	10321562
Reduced:	Cl2N2S2O3H12C19 (1)
Stoich.:	A2B2C2D3E12F19 (1)
Weight, g/mol:	450.11265
ΔH_f, kcal/mol:	-28.64
Dipole, Da:	3.94
IP(EA), eV:	-8.81(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-chlorophenyl)-8-(4-chlorophenyl)-2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylpyrazolo[1,5-a][1,3,5]triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)NC(=S)N3)OC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations