Geometry & MOs

Info

ID:

214660

PubChem CID:

85083366

Reduced:

FN6O6C28H35 (1)

Stoich.:

AB6C6D28E35 (1)

Weight, g/mol:

570.246497

ΔHf, kcal/mol:

-265.7

Dipole, Da:

2.66

IP(EA), eV:

 -8.72(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4,12-diacetyloxy-9,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-1-yl) benzoate

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CCC(C4=CC=C(C=C4)NC(=O)CN)O)F

DOS

IR

Vibrations