Geometry & MOs

Info

ID:	328644
PubChem CID:	126726229
Reduced:	N2O3H16C21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	360.093249
ΔH_f, kcal/mol:	36.42
Dipole, Da:	3.13
IP(EA), eV:	-9.05(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-N-[[4-(2-phenylethynyl)phenyl]methyl]-6-sulfanylidenepyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNC(=O)C3=CC=CC(=O)N3O

DOS

IR

Vibrations