Geometry & MOs

Info

ID:

231258

PubChem CID:

87573248

Reduced:

N3O3F5C29H36 (1)

Stoich.:

A3B3C5D29E36 (1)

Weight, g/mol:

943.405081

ΔHf, kcal/mol:

-366.07

Dipole, Da:

1.6

IP(EA), eV:

 -8.84(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[4-[5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-(4-methylsulfonylphenyl)pyrrol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C2=C(C=CC=C2F)[C@](CCCNC(=O)C(F)(F)F)(C3CCCN(C3)C(=O)CCCNC)O

DOS

IR

Vibrations