Geometry & MOs

Info

ID:	61407
PubChem CID:	26708984
Reduced:	ClSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	493.12269
ΔH_f, kcal/mol:	45.6
Dipole, Da:	3.74
IP(EA), eV:	-9.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-chlorophenyl)-phenylmethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)NC(=O)CCC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations