Geometry & MOs

Info

ID:	77536
PubChem CID:	49650008
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	343.108068
ΔH_f, kcal/mol:	-0.17
Dipole, Da:	5.09
IP(EA), eV:	-9.4(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)C(C#N)C(=O)C3CCC3)C

DOS

IR

Vibrations