Geometry & MOs

Info

ID:	298286
PubChem CID:	117648227
Reduced:	O2S2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	390.055978
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	1.47
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-fluoro-4-[2-fluoro-4-(2-methylprop-2-enoylsulfanyl)phenyl]phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=C(C=C2)SC(=O)C(=C)C)SC(=O)C(=C)C

DOS

IR

Vibrations