Geometry & MOs

Info

ID:

446235

PubChem CID:

135273356

Reduced:

FSN4O6C35H35 (1)

Stoich.:

ABC4D6E35F35 (1)

Weight, g/mol:

515.242021

ΔHf, kcal/mol:

-204.55

Dipole, Da:

13.25

IP(EA), eV:

 -8.61(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-3-[4-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CN=C32)OC4=C(C=C(C=C4)C[C@@H](C(=O)NC5=CC=CC=C5)NC(=O)OC(C)(C)C)F)C

DOS

IR

Vibrations