Geometry & MOs

Info

ID:

420731

PubChem CID:

135114736

Reduced:

FN5C21H22 (1)

Stoich.:

AB5C21D22 (1)

Weight, g/mol:

743.400647

ΔHf, kcal/mol:

17.45

Dipole, Da:

3.19

IP(EA), eV:

 -8.54(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-14-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-20-hydroxy-7,8-dimethyl-10-(2-methylpropyl)-17-oxa-2,5,8,11,14-pentazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)F)N3CCCC4(C3)CCC5=CN=C(N=C45)N

DOS

IR

Vibrations