Geometry & MOs

Info

ID:

168617

PubChem CID:

74995599

Reduced:

NaSN2O5C13H15 (1)

Stoich.:

ABC2D5E13F15 (1)

Weight, g/mol:

801.35717

ΔHf, kcal/mol:

-179.76

Dipole, Da:

15.96

IP(EA), eV:

 -7.68(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-acetyloxy-9,12-dihydroxy-10,14,20,20-tetramethyl-11,18-dioxo-2-phenoxy-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-15-yl) 2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Drug info:

PubChemData

Smile

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SC=CNC(=O)C)O.[Na+]

DOS

IR

Vibrations