Geometry & MOs

Info

ID:	278077
PubChem CID:	103833193
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	244.160935
ΔH_f, kcal/mol:	-33.89
Dipole, Da:	3.06
IP(EA), eV:	-8.75(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-methylpentan-1-one

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)[C@@H](C2=CC=CC=C2)N)C

DOS

IR

Vibrations