Geometry & MOs

Info

ID:	40155
PubChem CID:	8143658
Reduced:	ClO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	-53.47
Dipole, Da:	3.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757529
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(3-chlorophenyl)-5-ethyl-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)C[NH+]2CCCC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations