Geometry & MOs

Info

ID:	158822
PubChem CID:	56479458
Reduced:	SCl2N2O4C17H22 (1)
Stoich.:	AB2C2D4E17F22 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-167.64
Dipole, Da:	6.28
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-[(4-methoxybenzoyl)amino]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CS(=O)(=O)CC1N2CCCC2)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations