Geometry & MOs

Info

ID:	327288
PubChem CID:	126689410
Reduced:	BrFSN3O6C19H23 (1)
Stoich.:	ABCD3E6F19G23 (1)
Weight, g/mol:	488.13657
ΔH_f, kcal/mol:	-239.23
Dipole, Da:	6.27
IP(EA), eV:	-9.49(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;formic acid

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=CC(=C2F)Br)(C(=O)NOC3CCCCO3)S(=O)(=O)C

DOS

IR

Vibrations