Geometry & MOs

Info

ID:	157730
PubChem CID:	56436816
Reduced:	O2N7C21H29 (1)
Stoich.:	A2B7C21D29 (1)
Weight, g/mol:	445.105605
ΔH_f, kcal/mol:	-10.78
Dipole, Da:	7.92
IP(EA), eV:	-8.57(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4

DOS

IR

Vibrations