Geometry & MOs

Info

ID:

185322

PubChem CID:

77285295

Reduced:

FNO5C17H28 (1)

Stoich.:

ABC5D17E28 (1)

Weight, g/mol:

819.468333

ΔHf, kcal/mol:

-288.36

Dipole, Da:

4.05

IP(EA), eV:

 -9.55(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[5-[[2-[3-[(3-aminophenyl)methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-hydroxy-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C1CC(CN1)F)OCCCC=CC(=O)OC

DOS

IR

Vibrations