Geometry & MOs

Info

ID:	298341
PubChem CID:	117648393
Reduced:	S2O4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	394.106122
ΔH_f, kcal/mol:	-68.22
Dipole, Da:	2.46
IP(EA), eV:	-8.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[(E)-3-(4-prop-2-enoylsulfanylphenyl)but-2-en-2-yl]phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

C/C(=C(/C)\C(=O)OC1=CC=C(C=C1)SC(=O)C=C)/C2=CC=C(C=C2)SC(=O)C=C

DOS

IR

Vibrations