Geometry & MOs

Info

ID:	12353
PubChem CID:	135761
Reduced:	O14H23C24 (1)
Stoich.:	A14B23C24 (1)
Weight, g/mol:	535.10878
ΔH_f, kcal/mol:	-527.84
Dipole, Da:	2.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.007620
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=C[CH]C1C2=C(C(=C3C(=CC(=CC3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O2)O)OC(=O)CC(=O)O)O

DOS

IR

Vibrations