Geometry & MOs

Info

ID:	60886
PubChem CID:	26702851
Reduced:	ClSN2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	436.16322
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	4.14
IP(EA), eV:	-9.38(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)sulfonyl-N-[(2R)-2-phenylbutyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations