Geometry & MOs

Info

ID:	381040
PubChem CID:	134971667
Reduced:	S2C10H11 (1)
Stoich.:	A2B10C11 (1)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	38.62
Dipole, Da:	1.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770965
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-4-methyl-1-(2-methyl-5-oxofuran-2-yl)hexa-3,5-dienyl] (E)-4-methylpent-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2SC[CH+]S2

DOS

IR

Vibrations