Geometry & MOs

Info

ID:

328261

PubChem CID:

126700429

Reduced:

O4N8H18C19 (1)

Stoich.:

A4B8C18D19 (1)

Weight, g/mol:

805.367341

ΔHf, kcal/mol:

-58.07

Dipole, Da:

10.32

IP(EA), eV:

 -8.99(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3R,4R,5S,8R,10S,11S,13R,16S)-5-acetyloxy-1,10,13-trihydroxy-11,15,18,18-tetramethyl-16-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-12-oxo-7-oxatetracyclo[12.3.1.04,11.05,8]octadec-14-en-3-yl] benzoate

Drug info:

PubChemData

Smile

C1CC(=O)OC(=O)[C@H]1NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N

DOS

IR

Vibrations