Geometry & MOs

Info

ID:	177422
PubChem CID:	76183791
Reduced:	PO7C15H22 (1)
Stoich.:	AB7C15D22 (1)
Weight, g/mol:	666.267627
ΔH_f, kcal/mol:	-306.69
Dipole, Da:	3.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762480
Charge, e:	0

Chem-info

IUPAC name:

tetramethyl 3,5-dihydroxy-7-[4-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]phenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)COC(=O)C=C(C)O)C.COP(=O)([O-])OC

DOS

IR

Vibrations