Geometry & MOs

Info

ID:	40419
PubChem CID:	8144091
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	413.174429
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	3.49
IP(EA), eV:	-9.01(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5R)-5-(3-chlorophenyl)-5-ethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@]23CCC(=O)N2[C@H](CS3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations