Geometry & MOs

Info

ID:	133385
PubChem CID:	51518771
Reduced:	ClO2S2N3H20C23 (1)
Stoich.:	AB2C2D3E20F23 (1)
Weight, g/mol:	337.155218
ΔH_f, kcal/mol:	-0.16
Dipole, Da:	6.66
IP(EA), eV:	-9.03(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2Z)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CSC2=C([C@@H](C3=C(N2)CCCC3=O)C4=CC=CS4)C#N

DOS

IR

Vibrations