Geometry & MOs

Info

ID:

309956

PubChem CID:

126570380

Reduced:

N2C9H16 (1)

Stoich.:

A2B9C16 (1)

Weight, g/mol:

1043.538636

ΔHf, kcal/mol:

21.17

Dipole, Da:

0.8

IP(EA), eV:

-8.14(0.49)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-[2-[2-[2-[2-[[(1S,2R)-1-[[(1R)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]cyclopentanecarbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide

Drug info:

PubChemData

Smile

C/C=C\C(=N/C=C\N)C(C)C

DOS

IR

Vibrations