Geometry & MOs

Info

ID:	157632
PubChem CID:	56436185
Reduced:	FSO2N5C20H20 (1)
Stoich.:	ABC2D5E20F20 (1)
Weight, g/mol:	425.115775
ΔH_f, kcal/mol:	2.12
Dipole, Da:	3.39
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCCCC3=NC(=NO3)C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations