Geometry & MOs

Info

ID:

12217

PubChem CID:

132607

Reduced:

ISN5O5H30C36 (1)

Stoich.:

ABC5D5E30F36 (1)

Weight, g/mol:

771.10124

ΔHf, kcal/mol:

1.49

Dipole, Da:

5.81

IP(EA), eV:

 -9.09(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=C(C2=C(N1CC3=CC=C(C=C3)I)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)S(=O)(=O)C6=CC=C(C=C6)N=[N+]=[N-])C(=O)O

DOS

IR

Vibrations