Geometry & MOs

Info

ID:	40822
PubChem CID:	8144758
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	392.233802
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	5.2
IP(EA), eV:	-8.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CNCC(=O)NC)C

DOS

IR

Vibrations