Geometry & MOs

Info

ID:

327264

PubChem CID:

126689362

Reduced:

F2O3N4C23H24 (1)

Stoich.:

A2B3C4D23E24 (1)

Weight, g/mol:

475.121335

ΔHf, kcal/mol:

-162.53

Dipole, Da:

2.74

IP(EA), eV:

 -8.97(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-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

CN1CCC(C1=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC(=C4)C(F)F)CCCO

DOS

IR

Vibrations