Geometry & MOs

Info

ID:

215497

PubChem CID:

85084818

Reduced:

SN9O13C43H77 (1)

Stoich.:

AB9C13D43E77 (1)

Weight, g/mol:

961.464383

ΔHf, kcal/mol:

-689.13

Dipole, Da:

12.1

IP(EA), eV:

 -9.41(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations