Geometry & MOs

Info

ID:	145111
PubChem CID:	53464030
Reduced:	SO2N3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	500.276056
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	2.27
IP(EA), eV:	-9.5(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[6-methyl-5-[4-[5-(4-methylpiperazin-1-yl)pyridin-3-yl]triazol-1-yl]pyridin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)NN)NC(=O)C1=CC=CS1

DOS

IR

Vibrations