Geometry & MOs

Info

ID:	165622
PubChem CID:	74577260
Reduced:	N3O5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	494.110985
ΔH_f, kcal/mol:	-148.49
Dipole, Da:	1.66
IP(EA), eV:	-8.21(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-cyano-N-[1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-ium-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2C(C(C3COC2O3)NCC4=CC=C(O4)CO)O)C5=CC=CC=C5

DOS

IR

Vibrations