Geometry & MOs

Info

ID:	158103
PubChem CID:	56462987
Reduced:	SN3O3H17C21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-22.22
Dipole, Da:	5.19
IP(EA), eV:	-9.41(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations