Geometry & MOs

Info

ID:

446236

PubChem CID:

135273372

Reduced:

N3O5C30H33 (1)

Stoich.:

A3B5C30D33 (1)

Weight, g/mol:

566.18352

ΔHf, kcal/mol:

-148.92

Dipole, Da:

3.27

IP(EA), eV:

 -8.62(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-3-[4-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=CC3=C(C=CN=C32)OC4=CC=C(C=C4)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations