Geometry & MOs

Info

ID:	79587
PubChem CID:	49829629
Reduced:	SN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	414.177744
ΔH_f, kcal/mol:	-23.87
Dipole, Da:	3.14
IP(EA), eV:	-9.13(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-acetamido-2,5-dimethoxyphenyl)-N-(4-amino-5-cyano-6-ethoxypyridin-1-ium-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)CCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations