Geometry & MOs

Info

ID:

150740

PubChem CID:

53790436

Reduced:

NSO4C11H15 (1)

Stoich.:

ABC4D11E15 (1)

Weight, g/mol:

845.32587

ΔHf, kcal/mol:

-107.68

Dipole, Da:

2.46

IP(EA), eV:

 -9.07(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,10S)-4,12-diacetyloxy-15-[3-(but-3-ynoxycarbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CCOC(C)ON=C(C1=CC=CS1)C(=O)OC

DOS

IR

Vibrations