Geometry & MOs

Info

ID:	298347
PubChem CID:	117648421
Reduced:	S2O3H26C29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	458.101037
ΔH_f, kcal/mol:	-8.72
Dipole, Da:	1.0
IP(EA), eV:	-8.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[4-[(E)-3-(4-prop-2-enoylsulfanylphenoxy)prop-1-enyl]phenyl]phenyl] prop-2-enethioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations