Geometry & MOs

Info

ID:	327262
PubChem CID:	126689360
Reduced:	FSN3O5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	489.136985
ΔH_f, kcal/mol:	-166.77
Dipole, Da:	5.1
IP(EA), eV:	-9.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[6-fluoro-7-[4-[1-(hydroxymethyl)cyclobutyl]buta-1,3-diynyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC(CCN1C=NC2=CC(=C(C=C2C1=O)F)C3=CC=CC=C3)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations