Geometry & MOs

Info

ID:	158104
PubChem CID:	56462988
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-75.81
Dipole, Da:	6.34
IP(EA), eV:	-8.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3)OC)OC

DOS

IR

Vibrations