Geometry & MOs

Info

ID:

327265

PubChem CID:

126689364

Reduced:

FSN3O6C22H22 (1)

Stoich.:

ABC3D6E22F22 (1)

Weight, g/mol:

475.121335

ΔHf, kcal/mol:

-112.86

Dipole, Da:

2.66

IP(EA), eV:

 -9.39(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[8-fluoro-7-[4-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=CC(=C2F)C#CC#C[C@H]3C[C@@H]3CO)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations