Geometry & MOs

Info

ID:

181522

PubChem CID:

76755900

Reduced:

NO4C27H43 (1)

Stoich.:

AB4C27D43 (1)

Weight, g/mol:

736.466267

ΔHf, kcal/mol:

-206.23

Dipole, Da:

3.88

IP(EA), eV:

 -9.36(0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-(3-cyclopropyl-2-oxopropanoyl)-3-[4-[(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)methyl]-5,5-dimethyl-2-oxohexyl]-4,18,18-trimethyl-5-oxa-1-azatricyclo[14.4.0.017,19]icosane-2,15-dione

Drug info:

PubChemData

Smile

CC1C(=O)N2CC3C(C2C(=O)CC(CCCCC=CCCCC1(C)C)C(=O)OC)C3(C)C

DOS

IR

Vibrations