Geometry & MOs

Info

ID:	227147
PubChem CID:	87560345
Reduced:	CoSO2C3H6 (1)
Stoich.:	ABC2D3E6 (1)
Weight, g/mol:	548.422946
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	10.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.759571
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]ethyl]-3,4-bis(2-methylbutan-2-yl)phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

CCC(=O)OS.[Co]

DOS

IR

Vibrations