Geometry & MOs

Info

ID:	207818
PubChem CID:	80453340
Reduced:	FNOSC10H12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	308.110711
ΔH_f, kcal/mol:	-69.44
Dipole, Da:	6.64
IP(EA), eV:	-8.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC(=C(C=C1)C(=S)N)F

DOS

IR

Vibrations