Geometry & MOs

Info

ID:	142337
PubChem CID:	53018950
Reduced:	FSO3N5C18H20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	449.152161
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	8.44
IP(EA), eV:	-9.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,5-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC2=C(C1)C(=NN2C)C3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations