Geometry & MOs

Info

ID:	230539
PubChem CID:	87571291
Reduced:	SN2O3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	333.187484
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	2.41
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-4-phenyl-1,3-oxazolidine-2-thione

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=C2C3=CC(=NC=C3)C4=CC=CC(=C4)C=O)N5CCOCC5)C

DOS

IR

Vibrations