Geometry & MOs

Info

ID:

181512

PubChem CID:

76754614

Reduced:

N3O3H17C23 (1)

Stoich.:

A3B3C17D23 (1)

Weight, g/mol:

923.427603

ΔHf, kcal/mol:

54.85

Dipole, Da:

6.45

IP(EA), eV:

 -9.06(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-15-[3-benzamido-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations