Geometry & MOs

Info

ID:	366387
PubChem CID:	127319868
Reduced:	SO3N5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-31.35
Dipole, Da:	6.26
IP(EA), eV:	-9.2(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(2-oxoazocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C(CS2)C(=O)N(C)CC3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations