Geometry & MOs

Info

ID:

191321

PubChem CID:

78131319

Reduced:

O9N12C45H85 (2)

Stoich.:

A9B12C45D85 (2)

Weight, g/mol:

1287.193945

ΔHf, kcal/mol:

-1065.8

Dipole, Da:

15.3

IP(EA), eV:

 -9.14(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-[4-acetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl 2-(4-acetylphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NCC(=O)N)N

DOS

IR

Vibrations