Geometry & MOs

Info

ID:

317877

PubChem CID:

126646792

Reduced:

FO6N8C38H45 (1)

Stoich.:

AB6C8D38E45 (1)

Weight, g/mol:

832.40721

ΔHf, kcal/mol:

-146.8

Dipole, Da:

10.05

IP(EA), eV:

 -8.81(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[5-[3-fluoro-4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-phenylphenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCCC1C2=NC=C(N2)C#CC#CC3=C(C=C(C=C3)C4=CN=C(N4)C5CCCN5C(=O)C(C(C)C)NC(=O)OC)F)NC(=O)OC

DOS

IR

Vibrations