Geometry & MOs

Info

ID:	298342
PubChem CID:	117648395
Reduced:	O2S2H22C23 (1)
Stoich.:	A2B2C22D23 (1)
Weight, g/mol:	434.08105
ΔH_f, kcal/mol:	-3.0
Dipole, Da:	1.02
IP(EA), eV:	-8.88(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC=C(C=C1)/C(=C(\C)/C2=CC=C(C=C2)SC(=O)C=C)/C

DOS

IR

Vibrations