Geometry & MOs

Info

ID:	327269
PubChem CID:	126689373
Reduced:	FSN5O6C25H28 (1)
Stoich.:	ABC5D6E25F28 (1)
Weight, g/mol:	445.130757
ΔH_f, kcal/mol:	-143.47
Dipole, Da:	3.76
IP(EA), eV:	-9.38(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-hydroxy-4-[7-[4-(hydroxymethyl)phenyl]-4-oxoquinazolin-3-yl]-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=C(C(=C2)C#CC#CC3CCC(C3)NC(=O)CN)F)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations