Geometry & MOs

Info

ID:	327260
PubChem CID:	126689358
Reduced:	SN3O7C24H25 (1)
Stoich.:	AB3C7D24E25 (1)
Weight, g/mol:	499.141321
ΔH_f, kcal/mol:	-161.43
Dipole, Da:	3.52
IP(EA), eV:	-9.26(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-[2-[4-[(1R)-1,2-dihydroxyethyl]phenyl]ethynyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=CC(=C2)C#CC3=CC=C(C=C3)[C@H](CO)O)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations