Geometry & MOs

Info

ID:	298287
PubChem CID:	117648229
Reduced:	FOSH8C10 (2)
Stoich.:	ABCD8E10 (2)
Weight, g/mol:	426.037135
ΔH_f, kcal/mol:	-101.27
Dipole, Da:	0.98
IP(EA), eV:	-9.2(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[3,5-difluoro-4-(2-methylprop-2-enoylsulfanyl)phenyl]-3,5-difluorophenyl] 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)F)F

DOS

IR

Vibrations