Geometry & MOs

Info

ID:	304430
PubChem CID:	124593989
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	328.101227
ΔH_f, kcal/mol:	-78.4
Dipole, Da:	8.69
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)CCCC2=CC3=C(C=C2)NC(=O)N3)N

DOS

IR

Vibrations