Geometry & MOs

Info

ID:	298296
PubChem CID:	117648258
Reduced:	O2S2F3H17C21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	408.046557
ΔH_f, kcal/mol:	-169.34
Dipole, Da:	4.15
IP(EA), eV:	-9.09(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[2,6-difluoro-4-(2-methylprop-2-enoylsulfanyl)phenyl]-2-fluorophenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC=C(C=C1)C2=C(C=C(C=C2)SC(=O)C(=C)C)C(F)(F)F

DOS

IR

Vibrations