Geometry & MOs

Info

ID:	195689
PubChem CID:	78723623
Reduced:	ClSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	349.127385
ΔH_f, kcal/mol:	-143.67
Dipole, Da:	4.32
IP(EA), eV:	-9.45(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC(=O)NC(C)C1=CC(=CC=C1)Cl)NC(=O)C2=CC=CS2

DOS

IR

Vibrations