Geometry & MOs

Info

ID:	79558
PubChem CID:	49829494
Reduced:	ClSN3O4H20C21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	446.208469
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	4.96
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NC(=CS2)CC(=O)OC(C)C(=O)NC3=C(N=CC=C3)Cl

DOS

IR

Vibrations