Geometry & MOs

Info

ID:	298327
PubChem CID:	117648326
Reduced:	OSF2H7C10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	394.069737
ΔH_f, kcal/mol:	-187.2
Dipole, Da:	2.12
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[(E)-3-(4-prop-2-enoylsulfanylphenyl)prop-2-enoyl]phenyl] 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)F

DOS

IR

Vibrations