Geometry & MOs

Info

ID:	238009
PubChem CID:	92728788
Reduced:	ClS2N3O4H16C20 (1)
Stoich.:	AB2C3D4E16F20 (1)
Weight, g/mol:	482.081554
ΔH_f, kcal/mol:	-18.5
Dipole, Da:	7.42
IP(EA), eV:	-8.94(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=NO1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)OC4=CC(=CC=C4)Cl

DOS

IR

Vibrations