Geometry & MOs

Info

ID:	327297
PubChem CID:	126689439
Reduced:	SN3O8C29H33 (1)
Stoich.:	AB3C8D29E33 (1)
Weight, g/mol:	463.121335
ΔH_f, kcal/mol:	-178.51
Dipole, Da:	5.53
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1C[C@@H]1C#CC#CC2=CC3=C(C=C2)C(=O)N(C=N3)CC[C@](C)(C(=O)NOC4CCCCO4)S(=O)(=O)C

DOS

IR

Vibrations