Geometry & MOs

Info

ID:	40420
PubChem CID:	8144092
Reduced:	ClO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	412.166604
ΔH_f, kcal/mol:	-19.63
Dipole, Da:	2.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759264
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations