Geometry & MOs

Info

ID:	159793
PubChem CID:	57288756
Reduced:	ClNF3O5H13C17 (1)
Stoich.:	ABC3D5E13F17 (1)
Weight, g/mol:	293.033349
ΔH_f, kcal/mol:	-232.01
Dipole, Da:	3.81
IP(EA), eV:	-9.76(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methylsulfanyl 3-[3-(trifluoromethoxy)phenyl]iminopropanoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC(=CC=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)([N+](=O)[O-])OC

DOS

IR

Vibrations