Geometry & MOs

Info

ID:	140063
PubChem CID:	52639097
Reduced:	NSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	392.072819
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	3.41
IP(EA), eV:	-10.21(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butylsulfonyl-N-(2,4-dichlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)C2=CSC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations