Geometry & MOs

Info

ID:

320112

PubChem CID:

126658287

Reduced:

FO8N10C51H67 (1)

Stoich.:

AB8C10D51E67 (1)

Weight, g/mol:

1074.510293

ΔHf, kcal/mol:

-294.1

Dipole, Da:

7.64

IP(EA), eV:

 -7.93(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-(3,5-difluoro-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylphenyl)-5-[6-fluoro-2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]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

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)[C@@H]4CC[C@H](N4C5=CC(=C(C=C5)N6CCCCC6)F)C7=CC8=C(C=C7)NC(N8)[C@@H]9CCCN9[C@](C=O)([C@@H](C)OC)NC(=O)OC)NC(=O)OC)OC

DOS

IR

Vibrations