Geometry & MOs

Info

ID:	140360
PubChem CID:	52686563
Reduced:	S2O3N4C20H28 (1)
Stoich.:	A2B3C4D20E28 (1)
Weight, g/mol:	413.05377
ΔH_f, kcal/mol:	-100.08
Dipole, Da:	5.23
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,4-bis(methylsulfonyl)phenyl]sulfanyl-4,5-dicyclopropyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)N4CCSCC4

DOS

IR

Vibrations