Geometry & MOs

Info

ID:	298294
PubChem CID:	117648251
Reduced:	O2S2F3H13C19 (1)
Stoich.:	A2B2C3D13E19 (1)
Weight, g/mol:	396.0654
ΔH_f, kcal/mol:	-136.12
Dipole, Da:	2.32
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations