Geometry & MOs

Info

ID:	61242
PubChem CID:	26707296
Reduced:	S2F3N3O3C21H25 (1)
Stoich.:	A2B3C3D3E21F25 (1)
Weight, g/mol:	473.178456
ΔH_f, kcal/mol:	-202.67
Dipole, Da:	11.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767538
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)SC(F)(F)F

DOS

IR

Vibrations