Geometry & MOs

Info

ID:

446996

PubChem CID:

135279394

Reduced:

O2H8C9 (3)

Stoich.:

A2B8C9 (3)

Weight, g/mol:

532.235556

ΔHf, kcal/mol:

-173.25

Dipole, Da:

3.21

IP(EA), eV:

 -9.38(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypyridin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations