Geometry & MOs

Info

ID:

447429

PubChem CID:

135282827

Reduced:

N3O6C26H37 (1)

Stoich.:

A3B6C26D37 (1)

Weight, g/mol:

609.098202

ΔHf, kcal/mol:

-257.97

Dipole, Da:

4.74

IP(EA), eV:

 -9.26(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[(1R)-1-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]pyrazol-1-yl]azetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(C(N)OC1=C(C=C(C=C1)C2=CC(=NC=C2)N(C)C(=O)O)CO)C(=O)OC(C)(C)C

DOS

IR

Vibrations