Geometry & MOs

Info

ID:	327853
PubChem CID:	126691163
Reduced:	ON2H36C50 (1)
Stoich.:	AB2C36D50 (1)
Weight, g/mol:	490.153798
ΔH_f, kcal/mol:	167.96
Dipole, Da:	3.24
IP(EA), eV:	-7.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-benzhydrylpiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations