Geometry & MOs

Info

ID:

227415

PubChem CID:

87561715

Reduced:

AsO2N6C24H25 (1)

Stoich.:

AB2C6D24E25 (1)

Weight, g/mol:

560.334918

ΔHf, kcal/mol:

93.54

Dipole, Da:

4.3

IP(EA), eV:

 -8.48(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,6R,10S,11S,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate

Drug info:

PubChemData

Smile

C1CC1NC(CC2=NC=C(C=C2)C(=O)N)C3=CC=C(C=C3)NC(=O)NCC4=CN=C(C=C4)[As]

DOS

IR

Vibrations