Geometry & MOs

Info

ID:	327278
PubChem CID:	126689392
Reduced:	FC8H15 (1)
Stoich.:	AB8C15 (1)
Weight, g/mol:	475.121335
ΔH_f, kcal/mol:	-67.86
Dipole, Da:	1.82
IP(EA), eV:	-9.74(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-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

CCCCC=CCCF

DOS

IR

Vibrations