Geometry & MOs

Info

ID:	62706
PubChem CID:	26736274
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	490.094091
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	12.86
IP(EA), eV:	-8.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O

DOS

IR

Vibrations