Geometry & MOs

Info

ID:	36303
PubChem CID:	8001422
Reduced:	OSN4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	408.192331
ΔH_f, kcal/mol:	67.59
Dipole, Da:	4.11
IP(EA), eV:	-9.37(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4S)-3'-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)SC2=NC=NC3=CC=CC=C32

DOS

IR

Vibrations