Geometry & MOs

Info

ID:	194926
PubChem CID:	78610024
Reduced:	SN2O6H18C19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	330.077607
ΔH_f, kcal/mol:	-139.09
Dipole, Da:	3.73
IP(EA), eV:	-8.73(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dichlorophenyl)methyl-methyl-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(C1C#N)SCC(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations