Geometry & MOs

Info

ID:	298346
PubChem CID:	117648414
Reduced:	S2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	486.132337
ΔH_f, kcal/mol:	-17.13
Dipole, Da:	1.99
IP(EA), eV:	-8.68(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[[(E)-2-[4-[4-(2-methylprop-2-enoylsulfanyl)phenyl]phenyl]ethenoxy]methyl]phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations