Geometry & MOs

Info

ID:

47454

PubChem CID:

10532873

Reduced:

N2O5C19H21 (2)

Stoich.:

A2B5C19D21 (2)

Weight, g/mol:

715.139151

ΔHf, kcal/mol:

-322.59

Dipole, Da:

4.61

IP(EA), eV:

 -7.99(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,3R,4S,7R,9S,10R,11E,12R,15S)-4-acetyloxy-11-(carbamothioylhydrazinylidene)-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;chlorocopper

Drug info:

PubChemData

Smile

CC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)CC(=O)OC)CCC(=O)OC)CCC(=O)OC)CC(=O)OC)C(C3=O)(C)C)CO

DOS

IR

Vibrations