Geometry & MOs

Info

ID:	40415
PubChem CID:	8144083
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	359.244701
ΔH_f, kcal/mol:	-51.21
Dipole, Da:	3.18
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-5-methyl-5-(3-methylbutyl)-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