Geometry & MOs

Info

ID:	40560
PubChem CID:	8144331
Reduced:	BrOSN4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	330.181767
ΔH_f, kcal/mol:	40.69
Dipole, Da:	4.19
IP(EA), eV:	-8.41(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCOCC2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations