Geometry & MOs

Info

ID:	335735
PubChem CID:	127254597
Reduced:	ON6C15H18 (1)
Stoich.:	AB6C15D18 (1)
Weight, g/mol:	360.025244
ΔH_f, kcal/mol:	70.41
Dipole, Da:	10.09
IP(EA), eV:	-8.95(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-5-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCCCC(=O)NC2=CC3=NN=NN3C=C2

DOS

IR

Vibrations