Geometry & MOs

Info

ID:	61341
PubChem CID:	26708315
Reduced:	FSO3N6C19H19 (1)
Stoich.:	ABC3D6E19F19 (1)
Weight, g/mol:	430.122338
ΔH_f, kcal/mol:	-43.49
Dipole, Da:	6.91
IP(EA), eV:	-9.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)N4C=NN=N4

DOS

IR

Vibrations