Geometry & MOs

Info

ID:	32000
PubChem CID:	3727089
Reduced:	ClO3N4C30H31 (1)
Stoich.:	AB3C4D30E31 (1)
Weight, g/mol:	466.114968
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	6.8
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)Cl)C=CC(=O)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

DOS

IR

Vibrations