Geometry & MOs

Info

ID:

143767

PubChem CID:

53257582

Reduced:

ON8C18H22 (1)

Stoich.:

AB8C18D22 (1)

Weight, g/mol:

802.417969

ΔHf, kcal/mol:

66.51

Dipole, Da:

2.5

IP(EA), eV:

 -8.44(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-(pyrimidin-2-ylamino)butan-1-one

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C(N=C(N=C21)N3CC4CCC(C3)O4)C5=CN=C(C=N5)N

DOS

IR

Vibrations