Geometry & MOs

Info

ID:	61541
PubChem CID:	26710336
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	440.161722
ΔH_f, kcal/mol:	-177.48
Dipole, Da:	7.9
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC[C@@H](C3)C(=O)OCC

DOS

IR

Vibrations