Geometry & MOs

Info

ID:	228644
PubChem CID:	87565468
Reduced:	N3F6O7H21C22 (1)
Stoich.:	A3B6C7D21E22 (1)
Weight, g/mol:	272.956362
ΔH_f, kcal/mol:	-539.08
Dipole, Da:	13.91
IP(EA), eV:	-10.02(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-ethyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxymethanedithioic acid

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=C1)OC2=C(C=C(C=C2)OC)C(F)(F)F)NC(=O)C3(CC3)NC(=O)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations