Geometry & MOs

Info

ID:

144638

PubChem CID:

53390757

Reduced:

O4N5C31H35 (1)

Stoich.:

A4B5C31D35 (1)

Weight, g/mol:

882.406014

ΔHf, kcal/mol:

-125.32

Dipole, Da:

7.29

IP(EA), eV:

 -8.62(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S,4R)-4-fluoro-2-[7-[2-fluoro-4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrosilolo[3,4-b]pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H]2C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N2C1)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6

DOS

IR

Vibrations