Geometry & MOs

Info

ID:	238082
PubChem CID:	92729666
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-181.7
Dipole, Da:	9.42
IP(EA), eV:	-9.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@H](C3)C(=O)NCCCOC

DOS

IR

Vibrations