Geometry & MOs

Info

ID:	244905
PubChem CID:	99431567
Reduced:	O2F3N4H21C24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	495.143962
ΔH_f, kcal/mol:	-120.0
Dipole, Da:	1.51
IP(EA), eV:	-9.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@](CCNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)(C(F)(F)F)O

DOS

IR

Vibrations