Geometry & MOs

Info

ID:	244864
PubChem CID:	99431517
Reduced:	SN2O3F6H18C21 (1)
Stoich.:	AB2C3D6E18F21 (1)
Weight, g/mol:	372.166077
ΔH_f, kcal/mol:	-409.27
Dipole, Da:	4.59
IP(EA), eV:	-9.33(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-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)C[C@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations