Geometry & MOs

Info

ID:	142997
PubChem CID:	53130822
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	432.110151
ΔH_f, kcal/mol:	-80.78
Dipole, Da:	4.97
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,4-dimethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C3=NOC(=N3)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations