Geometry & MOs

Info

ID:	165625
PubChem CID:	74577568
Reduced:	SO3N5C17H22 (1)
Stoich.:	AB3C5D17E22 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	6.82
Dipole, Da:	1.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.820482
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2CC(C[NH+]2C)NS(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations