Geometry & MOs

Info

ID:

224076

PubChem CID:

85337877

Reduced:

O3N7C31H43 (1)

Stoich.:

A3B7C31D43 (1)

Weight, g/mol:

560.284614

ΔHf, kcal/mol:

-40.09

Dipole, Da:

7.02

IP(EA), eV:

 -8.18(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[(10-ethenyl-3,11-dihydroxy-7,10,12,15-tetramethyl-4-oxo-8-tricyclo[5.5.3.01,5]pentadecanyl)oxycarbonylcarbamoyl]-N-hydroxypyridin-3-amine oxide

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C2=CC=C(C=C2)C3C4C(C5=C(C4=O)C(=CC=C5)NC(=O)NN(C)C6CCOCC6)NN3

DOS

IR

Vibrations