Geometry & MOs

Info

ID:

224097

PubChem CID:

85338139

Reduced:

F2N3O3C35H45 (1)

Stoich.:

A2B3C3D35E45 (1)

Weight, g/mol:

595.307993

ΔHf, kcal/mol:

-214.14

Dipole, Da:

2.64

IP(EA), eV:

 -9.18(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-benzoyl-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-diazabicyclo[14.1.0]heptadecane-5,9-dione

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(CCNCC3=CC=C(C=C3)CC)O)C

DOS

IR

Vibrations