Geometry & MOs

Info

ID:

231050

PubChem CID:

87572521

Reduced:

SN3O4C22H33 (1)

Stoich.:

AB3C4D22E33 (1)

Weight, g/mol:

946.522908

ΔHf, kcal/mol:

-98.85

Dipole, Da:

5.35

IP(EA), eV:

 -8.12(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2CCCCCN2C(=O)COC(=S(=O)=O)C3CCCCN3

DOS

IR

Vibrations