Geometry & MOs

Info

ID:

327272

PubChem CID:

126689381

Reduced:

F3O3N4C27H29 (1)

Stoich.:

A3B3C4D27E29 (1)

Weight, g/mol:

581.151111

ΔHf, kcal/mol:

-211.08

Dipole, Da:

1.8

IP(EA), eV:

 -8.79(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[7-[4-[3-[(2-aminoacetyl)amino]cyclopentyl]buta-1,3-diynyl]-6-fluoro-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)CC2CC2)C3=CC4=C(C=C3)N(C(=N4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)CCCO

DOS

IR

Vibrations