Geometry & MOs

Info

ID:

446488

PubChem CID:

135275371

Reduced:

O8N12C29H56 (1)

Stoich.:

A8B12C29D56 (1)

Weight, g/mol:

563.209007

ΔHf, kcal/mol:

-382.77

Dipole, Da:

6.48

IP(EA), eV:

 -9.39(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)O)NC(=O)C

DOS

IR

Vibrations