Geometry & MOs

Info

ID:	261029
PubChem CID:	103215083
Reduced:	NCl2S2O4H9C12 (1)
Stoich.:	AB2C2D4E9F12 (1)
Weight, g/mol:	317.085048
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	3.71
IP(EA), eV:	-9.55(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2=C(C=CC=C2Cl)C(=O)O)Cl

DOS

IR

Vibrations