Geometry & MOs

Info

ID:

426538

PubChem CID:

135145894

Reduced:

ClSO3N4H21C26 (1)

Stoich.:

ABC3D4E21F26 (1)

Weight, g/mol:

580.296203

ΔHf, kcal/mol:

-19.68

Dipole, Da:

3.74

IP(EA), eV:

 -8.87(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-1-[6-[5-[(benzylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-8-fluoroquinolin-4-yl]piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)C(=O)NC)C4=CC5=C(C=CN=C5C(=C4)C)Cl

DOS

IR

Vibrations