Geometry & MOs

Info

ID:	157731
PubChem CID:	56436833
Reduced:	SN5O6C19H19 (1)
Stoich.:	AB5C6D19E19 (1)
Weight, g/mol:	470.198777
ΔH_f, kcal/mol:	-64.36
Dipole, Da:	3.35
IP(EA), eV:	-9.36(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations