Geometry & MOs

Info

ID:	272074
PubChem CID:	103723081
Reduced:	NSO2F3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	291.108228
ΔH_f, kcal/mol:	-248.9
Dipole, Da:	7.37
IP(EA), eV:	-9.4(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylmethoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NCC(C(F)(F)F)O

DOS

IR

Vibrations