Geometry & MOs

Info

ID:	283784
PubChem CID:	104007579
Reduced:	NO3F4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	375.05038
ΔH_f, kcal/mol:	-321.6
Dipole, Da:	6.51
IP(EA), eV:	-10.13(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[3-(2-hydroxyethoxy)propyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C(=O)NCCCOCCO)F

DOS

IR

Vibrations