Geometry & MOs

Info

ID:

222999

PubChem CID:

85333779

Reduced:

N11O11C37H65 (1)

Stoich.:

A11B11C37D65 (1)

Weight, g/mol:

843.292462

ΔHf, kcal/mol:

-549.72

Dipole, Da:

6.22

IP(EA), eV:

 -9.41(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-1-hydroxy-15-[2-hydroxy-3-phenyl-3-(thiophene-2-carbonylamino)propanoyl]oxy-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

CC(C)CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1

DOS

IR

Vibrations