Geometry & MOs

Info

ID:

82948

PubChem CID:

49856864

Reduced:

N2O9C39H48 (1)

Stoich.:

A2B9C39D48 (1)

Weight, g/mol:

317.126323

ΔHf, kcal/mol:

-329.29

Dipole, Da:

7.43

IP(EA), eV:

 -8.83(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,7R,9S,10R)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-12-one

Drug info:

PubChemData

Smile

C/C=C(\C)/C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)N(C)C)[C@@H]6C[C@]([C@@H]([C@@H](O6)C)O)(C)N(C)C)O

DOS

IR

Vibrations