Geometry & MOs

Info

ID:	140333
PubChem CID:	52683421
Reduced:	SCl2O2N4C19H24 (1)
Stoich.:	AB2C2D4E19F24 (1)
Weight, g/mol:	392.129643
ΔH_f, kcal/mol:	-51.18
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,5-dichlorophenyl)methyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium

Drug info:

PubChemData

Smile

CCCN(CC(=O)NNC(=O)CC1=NC(=CS1)C)[C@@H](C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations