Geometry & MOs

Info

ID:

433360

PubChem CID:

135173497

Reduced:

ClSO4N5C7H8 (1)

Stoich.:

ABC4D5E7F8 (1)

Weight, g/mol:

718.332411

ΔHf, kcal/mol:

11.83

Dipole, Da:

7.42

IP(EA), eV:

 -10.08(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-[2-[4-[[1-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-3-(3-iminoprop-1-en-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-methylamino]piperidin-1-yl]ethoxy]ethoxy]acetate

Drug info:

PubChemData

Smile

C1N(/C(=N/[N+](=O)[O-])/N(CO1)O)CC2=CN=C(S2)Cl

DOS

IR

Vibrations