Geometry & MOs

Info

ID:	175553
PubChem CID:	75920878
Reduced:	ClNF3O3C19H19 (1)
Stoich.:	ABC3D3E19F19 (1)
Weight, g/mol:	321.17625
ΔH_f, kcal/mol:	-262.99
Dipole, Da:	5.27
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCC(C2=CC=CC=C2C(F)(F)F)O

DOS

IR

Vibrations