Geometry & MOs

Info

ID:

222140

PubChem CID:

85294660

Reduced:

P2N9O17C35H41 (1)

Stoich.:

A2B9C17D35E41 (1)

Weight, g/mol:

927.367735

ΔHf, kcal/mol:

-637.91

Dipole, Da:

4.6

IP(EA), eV:

 -9.01(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-1-hydroxy-15-[2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoyl]oxy-9-(methoxymethoxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=CC(NC2=O)N)CP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OC(=O)C(CC6=CC=C(C=C6)OCC7=CC=CC=C7[N+](=O)[O-])O)O

DOS

IR

Vibrations