Geometry & MOs

Info

ID:	142338
PubChem CID:	53019163
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	446.11611
ΔH_f, kcal/mol:	12.14
Dipole, Da:	11.44
IP(EA), eV:	-9.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)S(=O)(=O)N2CCC3=C(C2)C(=NN3C)C4=NN=C(O4)C5=CC=CC=C5)C

DOS

IR

Vibrations