Geometry & MOs

Info

ID:

224175

PubChem CID:

85339183

Reduced:

N7O9C51H81 (1)

Stoich.:

A7B9C51D81 (1)

Weight, g/mol:

941.365627

ΔHf, kcal/mol:

-389.8

Dipole, Da:

4.3

IP(EA), eV:

 -8.24(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5,13-diacetyloxy-2-benzoyloxy-1-hydroxy-11,15,18,18-tetramethyl-10-(methylsulfanylmethoxy)-12-oxo-7-oxatetracyclo[12.3.1.04,11.05,8]octadec-14-en-16-yl] 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(=NNC(=O)CCCCCN2C(=O)C=CC2=O)C3=CC=CC=C3)OC)OC)N(C)C(=O)C(CC(=O)C(C(C)C)N(C)C)C(C)C

DOS

IR

Vibrations