Geometry & MOs

Info

ID:	270138
PubChem CID:	103630024
Reduced:	OSN2F3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	321.075882
ΔH_f, kcal/mol:	-191.9
Dipole, Da:	3.74
IP(EA), eV:	-9.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCCSC(F)(F)F)N

DOS

IR

Vibrations