Geometry & MOs

Info

ID:	39523
PubChem CID:	8141186
Reduced:	SN2O4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	398.093643
ΔH_f, kcal/mol:	-69.14
Dipole, Da:	4.64
IP(EA), eV:	-8.59(-1.06)
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-ethoxy-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations