Geometry & MOs

Info

ID:	157258
PubChem CID:	56422463
Reduced:	SN2O2C10H10 (2)
Stoich.:	AB2C2D10E10 (2)
Weight, g/mol:	431.10704
ΔH_f, kcal/mol:	-58.96
Dipole, Da:	5.7
IP(EA), eV:	-9.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-ethoxy-4-propoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations