Geometry & MOs

Info

ID:	243240
PubChem CID:	99217576
Reduced:	O2N3C24H41 (1)
Stoich.:	A2B3C24D41 (1)
Weight, g/mol:	475.025025
ΔH_f, kcal/mol:	-100.3
Dipole, Da:	5.78
IP(EA), eV:	-8.52(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-nitrophenyl)sulfonyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCN(CC(C)C)C(=O)C1=CC=C(C=C1)CN2CCC(CC2)OC

DOS

IR

Vibrations