Geometry & MOs

Info

ID:	84515
PubChem CID:	49867163
Reduced:	F2S2N4O5H22C27 (1)
Stoich.:	A2B2C4D5E22F27 (1)
Weight, g/mol:	277.132746
ΔH_f, kcal/mol:	-84.9
Dipole, Da:	7.98
IP(EA), eV:	-9.84(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

5-methyl-N-naphthalen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium-7-amine

Drug info:

PubChemData

Smile

C1[C@H](S(=O)(=O)NC1=O)C2=CC=C(C=C2)C[C@@H](C3=NC(=C=N3)CC4=CC=CC=C4F)NS(=O)(=O)C5=CC=CC(=C5)F

DOS

IR

Vibrations