Geometry & MOs

Info

ID:	122974
PubChem CID:	50829329
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-131.72
Dipole, Da:	9.35
IP(EA), eV:	-9.43(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OC3=NC=C(C=C3)C(=O)NCCCOC)C

DOS

IR

Vibrations