Geometry & MOs

Info

ID:

128386

PubChem CID:

51042242

Reduced:

O2N5H15C17 (1)

Stoich.:

A2B5C15D17 (1)

Weight, g/mol:

736.369681

ΔHf, kcal/mol:

27.1

Dipole, Da:

3.72

IP(EA), eV:

 -8.83(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[5-[4-[4-[2-[(1S,3R,4S)-2-[2-(methoxycarbonylamino)-2-methylpropanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CN=C(N=C1NC(=O)NC2=CC=CC=C2)C3=CC=CC=N3

DOS

IR

Vibrations