Geometry & MOs

Info

ID:	157653
PubChem CID:	56436315
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	405.147075
ΔH_f, kcal/mol:	-25.79
Dipole, Da:	3.86
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)CCC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations