Geometry & MOs

Info

ID:	150391
PubChem CID:	53790080
Reduced:	H5C6F9 (1)
Stoich.:	A5B6C9 (1)
Weight, g/mol:	449.090008
ΔH_f, kcal/mol:	-480.52
Dipole, Da:	2.06
IP(EA), eV:	-12.96(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ylidene]amino] N-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-methylcarbamate

Drug info:

PubChemData

Smile

C(CC(F)(F)F)C(C(C(F)F)(F)F)(F)F

DOS

IR

Vibrations