Geometry & MOs

Info

ID:	327253
PubChem CID:	126689344
Reduced:	FSN4O7C22H25 (1)
Stoich.:	ABC4D7E22F25 (1)
Weight, g/mol:	462.137319
ΔH_f, kcal/mol:	-182.81
Dipole, Da:	2.24
IP(EA), eV:	-9.07(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-[5-(dimethylamino)penta-1,3-diynyl]-6-fluoro-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC(CCN1C=NC2=C(C1=O)C=C(C(=C2)C#CC#CCN(C)C)F)(C(=O)NO)S(=O)(=O)C.C(=O)O

DOS

IR

Vibrations