Geometry & MOs

Info

ID:	39517
PubChem CID:	8141131
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	368.083078
ΔH_f, kcal/mol:	-69.18
Dipole, Da:	4.36
IP(EA), eV:	-8.47(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-ethoxybenzamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC(=CS4)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations