Geometry & MOs

Info

ID:	173120
PubChem CID:	75600832
Reduced:	O9C34H42 (1)
Stoich.:	A9B34C42 (1)
Weight, g/mol:	446.09606
ΔH_f, kcal/mol:	-386.44
Dipole, Da:	5.74
IP(EA), eV:	-9.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1CC2C(CC3=C1C(C4C3(OC(=O)C(C4)C5=CC(=C(C=C5)CO)C(C)CCCOC(=O)C)C)OC(=O)C)C(=C)C(=O)O2

DOS

IR

Vibrations