Geometry & MOs

Info

ID:	298348
PubChem CID:	117648422
Reduced:	S2O3H22C27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	384.0654
ΔH_f, kcal/mol:	8.93
Dipole, Da:	0.93
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-fluoro-4-[(E)-2-(4-prop-2-enoylsulfanylphenyl)ethenyl]phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

C=CC(=O)SC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/COC3=CC=C(C=C3)SC(=O)C=C

DOS

IR

Vibrations