Geometry & MOs

Info

ID:	238054
PubChem CID:	92729638
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	-180.54
Dipole, Da:	2.7
IP(EA), eV:	-8.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-methoxyethyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@H](C3)C(=O)NCCOC

DOS

IR

Vibrations