Geometry & MOs

Info

ID:

327252

PubChem CID:

126689341

Reduced:

F3O3N4C25H27 (1)

Stoich.:

A3B3C4D25E27 (1)

Weight, g/mol:

508.142799

ΔHf, kcal/mol:

-219.91

Dipole, Da:

2.27

IP(EA), eV:

 -9.01(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[7-[5-(dimethylamino)penta-1,3-diynyl]-6-fluoro-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;formic acid

Drug info:

PubChemData

Smile

C[C@](CN1C2=C(C=C(C=C2)C3CCCN(C3=O)C)N=C1NC(=O)C4=CC=CC(=C4)C(F)F)(CO)F

DOS

IR

Vibrations