Geometry & MOs

Info

ID:	163736
PubChem CID:	58874727
Reduced:	SN3O5H11C13 (1)
Stoich.:	AB3C5D11E13 (1)
Weight, g/mol:	354.074188
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	5.81
IP(EA), eV:	-9.69(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]pyridin-1-ium-2,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

DOS

IR

Vibrations