Geometry & MOs

Info

ID:	45242
PubChem CID:	10509987
Reduced:	O6H21C28 (2)
Stoich.:	A6B21C28 (2)
Weight, g/mol:	918.449285
ΔH_f, kcal/mol:	-328.07
Dipole, Da:	2.06
IP(EA), eV:	-8.63(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

C1=CC(=CC=C1[C@H]2[C@@H](C3=C4[C@@H]([C@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)[C@H]7[C@@H](C8=C(C=C(C=C8O)O)[C@@H]9[C@H](OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O

DOS

IR

Vibrations