Geometry & MOs

Info

ID:	327295
PubChem CID:	126689434
Reduced:	SN3O7C20H21 (1)
Stoich.:	AB3C7D20E21 (1)
Weight, g/mol:	447.110021
ΔH_f, kcal/mol:	-129.63
Dipole, Da:	5.64
IP(EA), eV:	-9.47(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-(5,6-dihydroxyhexa-1,3-diynyl)-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#CC#C[C@H](CO)O)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations