Geometry & MOs

Info

ID:	440821
PubChem CID:	135231670
Reduced:	OSF3N7C24H26 (1)
Stoich.:	ABC3D7E24F26 (1)
Weight, g/mol:	404.112996
ΔH_f, kcal/mol:	-76.84
Dipole, Da:	4.09
IP(EA), eV:	-8.44(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(trifluoromethoxy)ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazole-3-carboximidothioate

Drug info:

PubChemData

Smile

CC(=NCC1=CC(=NC=C1)N2CCN(CC2)C)N=C(C3=NC(=CS3)C4=CC=C(C=C4)OC(F)(F)F)N

DOS

IR

Vibrations