Geometry & MOs

Info

ID:	62080
PubChem CID:	26717490
Reduced:	SCl2N2O4C20H22 (1)
Stoich.:	AB2C2D4E20F22 (1)
Weight, g/mol:	442.192629
ΔH_f, kcal/mol:	-140.95
Dipole, Da:	9.43
IP(EA), eV:	-9.53(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations