Geometry & MOs

Info

ID:

341714

PubChem CID:

127264407

Reduced:

Cl2N5H43C45 (1)

Stoich.:

A2B5C43D45 (1)

Weight, g/mol:

864.365819

ΔHf, kcal/mol:

147.18

Dipole, Da:

9.63

IP(EA), eV:

 -8.38(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;oxalic acid

Drug info:

PubChemData

Smile

C=C1CC(CCN1C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)C5=CC(=CN=C5)C6CCN(C(=C)C6)C7C8=C(CCC9=C7N=CC=C9)C=C(C=C8)Cl

DOS

IR

Vibrations