Geometry & MOs

Info

ID:	749
PubChem CID:	3311
Reduced:	SN2F3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	248.059504
ΔH_f, kcal/mol:	-130.69
Dipole, Da:	6.87
IP(EA), eV:	-9.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate

Drug info:

PubChemData

Smile

CCSC(=NC1=CC=C(C=C1)C(F)(F)F)N

DOS

IR

Vibrations