Geometry & MOs

Info

ID:

410148

PubChem CID:

135082939

Reduced:

NO10C27H29 (1)

Stoich.:

AB10C27D29 (1)

Weight, g/mol:

362.042653

ΔHf, kcal/mol:

-392.73

Dipole, Da:

2.44

IP(EA), eV:

 -8.83(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S,12R)-7-hydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),13,16(23),17,19-heptaene-5,15-dione

Drug info:

PubChemData

Smile

C[C@@]1(C[C@H](C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)[C@@]6([C@@H]([C@H]([C@@H]([C@H](O5)O6)O)N(C)C)O)C)O)O)O

DOS

IR

Vibrations