Geometry & MOs

Info

ID:	68522
PubChem CID:	46508581
Reduced:	N2S2Cl3O3C17H17 (1)
Stoich.:	A2B2C3D3E17F17 (1)
Weight, g/mol:	346.10842
ΔH_f, kcal/mol:	-96.89
Dipole, Da:	7.34
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N(CC2=CC=CS2)CC(=O)NC3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations