Geometry & MOs

Info

ID:	46565
PubChem CID:	10525256
Reduced:	NSCl2O3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	404.083078
ΔH_f, kcal/mol:	-130.49
Dipole, Da:	5.37
IP(EA), eV:	-9.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1H-indeno[1,2-b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)CC(CSCCCCCCC1=C(C=CC=C1Cl)Cl)(C#N)O

DOS

IR

Vibrations