Geometry & MOs

Info

ID:	131913
PubChem CID:	51278879
Reduced:	NCl2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	359.038292
ΔH_f, kcal/mol:	-130.81
Dipole, Da:	3.58
IP(EA), eV:	-8.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations