Geometry & MOs

Info

ID:

47105

PubChem CID:

10529605

Reduced:

N5O5H21C28 (1)

Stoich.:

A5B5C21D28 (1)

Weight, g/mol:

508.194462

ΔHf, kcal/mol:

40.9

Dipole, Da:

7.39

IP(EA), eV:

 -9.38(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,5S,7S,8S,11R,13R)-13-acetyloxy-7,8-dihydroxy-11,15,18,18-tetramethyl-3,12,16-trioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-7-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations