Geometry & MOs

Info

ID:	150934
PubChem CID:	53790631
Reduced:	C4H5 (2)
Stoich.:	A4B5 (2)
Weight, g/mol:	566.325223
ΔH_f, kcal/mol:	97.3
Dipole, Da:	1.13
IP(EA), eV:	-8.59(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-octan-2-yl] 3-[4-(4-decylbenzenecarbothioyl)sulfanylphenyl]-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1C=C2C3CC1C2C3

DOS

IR

Vibrations