Geometry & MOs

Info

ID:

433440

PubChem CID:

135173577

Reduced:

N6O6H34C39 (1)

Stoich.:

A6B6C34D39 (1)

Weight, g/mol:

583.170096

ΔHf, kcal/mol:

-94.42

Dipole, Da:

9.11

IP(EA), eV:

 -9.06(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pentanediamide

Drug info:

PubChemData

Smile

CN(CCOC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=O)CC5)C6=CC7=C(C=C6)C(N(C7=O)C8CCC(=O)NC8=O)O

DOS

IR

Vibrations