Geometry & MOs

Info

ID:

320068

PubChem CID:

126658129

Reduced:

NPBr2O4C21H28 (1)

Stoich.:

ABC2D4E21F28 (1)

Weight, g/mol:

1112.525943

ΔHf, kcal/mol:

-187.78

Dipole, Da:

7.92

IP(EA), eV:

 -8.93(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-(4-naphthalen-2-ylpiperidin-1-yl)phenyl]-5-[6-fluoro-2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOP(=NCC(CO)(C1=CC(=CC=C1)Br)C2=CC(=CC=C2)Br)(OCC)OCC

DOS

IR

Vibrations