Geometry & MOs

Info

ID:	40467
PubChem CID:	8144187
Reduced:	SO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-14.51
Dipole, Da:	0.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.285571
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(2-methylpropyl)-5-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+][C@H](C3=CC=CC=C3)C4=CC=CO4)C

DOS

IR

Vibrations