Geometry & MOs

Info

ID:

46802

PubChem CID:

10527444

Reduced:

BrNO3C23H30 (1)

Stoich.:

ABC3D23E30 (1)

Weight, g/mol:

448.209718

ΔHf, kcal/mol:

-103.97

Dipole, Da:

2.63

IP(EA), eV:

 -7.57(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,5S,7S,8S,10S,11R,12S)-2-acetyloxy-11,12-dimethyl-11-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,6-dioxatetracyclo[8.4.0.01,5.05,7]tetradecan-8-yl] acetate

Drug info:

PubChemData

Smile

CCCCC1CC2=C(C=CC(=C2)OC)C(N1)CC3=CC(=C(C=C3Br)OC)OC

DOS

IR

Vibrations