Geometry & MOs

Info

ID:	260890
PubChem CID:	103208364
Reduced:	SN2O2F3C11H19 (1)
Stoich.:	AB2C2D3E11F19 (1)
Weight, g/mol:	272.080633
ΔH_f, kcal/mol:	-255.91
Dipole, Da:	2.17
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-sulfanylidenebutyl)-3-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

CC(C)CN(CCC(=S)N)C(=O)COCC(F)(F)F

DOS

IR

Vibrations