Geometry & MOs

Info

ID:

173158

PubChem CID:

75604916

Reduced:

FO3N5C12H16 (1)

Stoich.:

AB3C5D12E16 (1)

Weight, g/mol:

760.369681

ΔHf, kcal/mol:

-109.71

Dipole, Da:

1.8

IP(EA), eV:

 -9.38(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-cyclopropyl-2-[2-[5-[4-[4-[2-[2-[2-cyclopropyl-2-(methoxycarbonylamino)acetyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1(C(C(OC1(C)C2=CN=C3N2N=CN=C3N)CO)O)F

DOS

IR

Vibrations