Geometry & MOs

Info

ID:	135759
PubChem CID:	51929329
Reduced:	SN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	359.233468
ΔH_f, kcal/mol:	-104.66
Dipole, Da:	5.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.914539
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-(4-benzoylpiperidin-1-ium-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC=C2C[NH2+][C@@H](C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations