Geometry & MOs

Info

ID:

189226

PubChem CID:

77829089

Reduced:

N2F3O4C32H38 (1)

Stoich.:

A2B3C4D32E38 (1)

Weight, g/mol:

569.194912

ΔHf, kcal/mol:

-249.31

Dipole, Da:

14.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.846829

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4,4-difluoro-5-methyl-7-oxo-6-(2,2,2-trifluoroethyl)-2,6-diazabicyclo[3.2.0]heptan-2-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-hydroxy-2,5-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC(=C1)C23CCCCC2C[N+](C(C3)NC(=O)C(=CC4=CC=CC=C4)OC(F)(F)F)(C)CC5CC5

DOS

IR

Vibrations