Geometry & MOs

Info

ID:

128356

PubChem CID:

51041052

Reduced:

ClON9C32H34 (1)

Stoich.:

ABC9D32E34 (1)

Weight, g/mol:

660.296122

ΔHf, kcal/mol:

93.31

Dipole, Da:

5.57

IP(EA), eV:

 -8.58(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[5-[4-[4-[2-[(1S,3R,4S)-2-(pyridine-2-carbonyl)-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=NC(=N2)NC3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)NCCCN6CCOCC6

DOS

IR

Vibrations