Geometry & MOs

Info

ID:	298283
PubChem CID:	117648223
Reduced:	O2S2F3H15C20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	408.046557
ΔH_f, kcal/mol:	-145.4
Dipole, Da:	2.28
IP(EA), eV:	-9.33(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[3,5-difluoro-4-(2-methylprop-2-enoylsulfanyl)phenyl]-3-fluorophenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations