Geometry & MOs

Info

ID:

219289

PubChem CID:

85098492

Reduced:

O8N11C31H57 (1)

Stoich.:

A8B11C31D57 (1)

Weight, g/mol:

712.273106

ΔHf, kcal/mol:

-411.18

Dipole, Da:

11.89

IP(EA), eV:

 -8.91(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1,8,16-triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)N

DOS

IR

Vibrations