Geometry & MOs

Info

ID:	390302
PubChem CID:	134998369
Reduced:	O8H28C31 (2)
Stoich.:	A8B28C31 (2)
Weight, g/mol:	415.171435
ΔH_f, kcal/mol:	-475.3
Dipole, Da:	2.58
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4=CC=CC=C4C(=O)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OC(O1)C1=CC=CC=C1

DOS

IR

Vibrations