Geometry & MOs

Info

ID:

446234

PubChem CID:

135273325

Reduced:

O4C21H27 (2)

Stoich.:

A4B21C27 (2)

Weight, g/mol:

658.226134

ΔHf, kcal/mol:

-355.23

Dipole, Da:

1.59

IP(EA), eV:

 -9.37(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-anilino-3-[3-fluoro-4-[3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCC(C)OC(=O)C(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)C(=O)OC(C)CCCCCC

DOS

IR

Vibrations