Geometry & MOs

Info

ID:	30962
PubChem CID:	854001
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	294.111676
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	3.33
IP(EA), eV:	-8.7(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-1,5-diphenyl-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CSCC2=CC=CC=C2)C

DOS

IR

Vibrations