Geometry & MOs

Info

ID:	36365
PubChem CID:	8002501
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	395.140259
ΔH_f, kcal/mol:	-132.47
Dipole, Da:	3.74
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-oxocyclohexyl] 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations