Geometry & MOs

Info

ID:	231759
PubChem CID:	87574610
Reduced:	ClSO3C6H9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	411.138146
ΔH_f, kcal/mol:	-141.03
Dipole, Da:	3.62
IP(EA), eV:	-9.03(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-cyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)anilino]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CSCC(O1)C(C(=O)O)Cl

DOS

IR

Vibrations