Geometry & MOs

Info

ID:	70291
PubChem CID:	48413147
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	402.099791
ΔH_f, kcal/mol:	-91.33
Dipole, Da:	3.64
IP(EA), eV:	-9.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations