Geometry & MOs

Info

ID:

299928

PubChem CID:

117957664

Reduced:

Cl2O3N6C20H26 (1)

Stoich.:

A2B3C6D20E26 (1)

Weight, g/mol:

999.607177

ΔHf, kcal/mol:

-6.94

Dipole, Da:

4.4

IP(EA), eV:

 -9.74(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,3R,4R,7R,9S,10S,12R)-1,9-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3R)-3-benzamido-2-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxycarbonyloxy]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC(CC)(CC)C(=O)C(C(CN=[N+]=[N-])C1=CC(=C(C=C1)Cl)Cl)C(=O)OCCN=[N+]=[N-]

DOS

IR

Vibrations