Geometry & MOs

Info

ID:	157473
PubChem CID:	56430404
Reduced:	NCl2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-123.43
Dipole, Da:	2.52
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)COC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations