Geometry & MOs

Info

ID:	243052
PubChem CID:	99215304
Reduced:	SN5C27H27 (1)
Stoich.:	AB5C27D27 (1)
Weight, g/mol:	412.204531
ΔH_f, kcal/mol:	153.81
Dipole, Da:	1.81
IP(EA), eV:	-8.46(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@H]1N(CN3C(=S)N(C(=N3)C4=CC=NC=C4)CC5=CC=CC=C5)C6CC6

DOS

IR

Vibrations