Geometry & MOs

Info

ID:	44506
PubChem CID:	10503826
Reduced:	NOS3H4C8 (2)
Stoich.:	ABC3D4E8 (2)
Weight, g/mol:	452.1139
ΔH_f, kcal/mol:	59.77
Dipole, Da:	3.25
IP(EA), eV:	-8.62(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-(4-chloro-[1]benzofuro[3,2-b]pyridin-3-yl)-2,6-dimethylpyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C4=C(C5=C3C(=S)SS5)SSC4=S

DOS

IR

Vibrations