Geometry & MOs

Info

ID:	227266
PubChem CID:	87560956
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	453.193357
ΔH_f, kcal/mol:	-36.75
Dipole, Da:	3.39
IP(EA), eV:	-9.18(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-ethoxy-4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide;methanesulfonic acid

Drug info:

PubChemData

Smile

C#CCNC(=O)CC1C(=O)N(CC(=O)N1CCC2=CC=CS2)CC3=CC=CC=C3

DOS

IR

Vibrations