Geometry & MOs

Info

ID:

313535

PubChem CID:

126615517

Reduced:

N2O4F7C34H35 (1)

Stoich.:

A2B4C7D34E35 (1)

Weight, g/mol:

888.413438

ΔHf, kcal/mol:

-505.01

Dipole, Da:

5.26

IP(EA), eV:

 -9.06(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(6S)-6-[5-[9,9-difluoro-6-[2-[(1S,3S,4R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2=CC(=NC(=C2NCC(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CO)C4CCC(CC4)CC(=O)O

DOS

IR

Vibrations