Geometry & MOs

Info

ID:	18640
PubChem CID:	545031
Reduced:	ClSN2O2F6H11C14 (1)
Stoich.:	ABC2D2E6F11G14 (1)
Weight, g/mol:	420.013395
ΔH_f, kcal/mol:	-358.16
Dipole, Da:	7.37
IP(EA), eV:	-9.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC(C(OC(F)(F)F)(F)Cl)(F)F

DOS

IR

Vibrations