Geometry & MOs

Info

ID:	307211
PubChem CID:	125292401
Reduced:	NO7H19C27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	515.141197
ΔH_f, kcal/mol:	-169.99
Dipole, Da:	8.14
IP(EA), eV:	-8.74(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(C=C(C3=C2OC[C@@H](C3=O)C4=CC=C(C=C4)O)O)OC1=O)[C@H]5C=C6C=CC=CC6=NC5=O

DOS

IR

Vibrations