Geometry & MOs

Info

ID:

327289

PubChem CID:

126689416

Reduced:

SN4O7C22H24 (1)

Stoich.:

AB4C7D22E24 (1)

Weight, g/mol:

475.121335

ΔHf, kcal/mol:

-111.23

Dipole, Da:

5.53

IP(EA), eV:

 -9.24(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCN1C=NC2=C(C1=O)C=CC(=C2)C#CC#CC3(CC3)N)(C(=O)NO)S(=O)(=O)C.C(=O)O

DOS

IR

Vibrations