Geometry & MOs

Info

ID:	176129
PubChem CID:	75999536
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	400.168145
ΔH_f, kcal/mol:	69.39
Dipole, Da:	14.97
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3-piperidin-1-yloxadiazol-3-ium-5-yl)ethanimidate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=C(C=C1)C#N)SCC(=NC2=C[N+](=NO2)N3CCCCC3)[O-]

DOS

IR

Vibrations