Geometry & MOs

Info

ID:

128357

PubChem CID:

51041133

Reduced:

ON4H18C20 (2)

Stoich.:

AB4C18D20 (2)

Weight, g/mol:

788.400981

ΔHf, kcal/mol:

95.62

Dipole, Da:

8.17

IP(EA), eV:

 -8.4(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1S,2S)-2-[(2S)-2-[5-[4-[4-[2-[(1S,3R,4S)-2-[(1R,2R)-2-(methoxycarbonylamino)cyclopentanecarbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=CC=N2)C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)[C@H]7[C@H]8CC[C@@H](C8)N7C(=O)C9=CC=CC=N9

DOS

IR

Vibrations