Geometry & MOs

Info

ID:

168597

PubChem CID:

74992528

Reduced:

N6O6C27H44 (1)

Stoich.:

A6B6C27D44 (1)

Weight, g/mol:

755.351691

ΔHf, kcal/mol:

-299.38

Dipole, Da:

2.37

IP(EA), eV:

 -9.44(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-15-[3-(cyclopropanecarbonylamino)-2-hydroxy-4,4-dimethylpentanoyl]oxy-1,9,12-trihydroxy-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

CCCCC(C(=O)N)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC

DOS

IR

Vibrations