Geometry & MOs

Info

ID:	327291
PubChem CID:	126689422
Reduced:	SN3O7C25H25 (1)
Stoich.:	AB3C7D25E25 (1)
Weight, g/mol:	463.121335
ΔH_f, kcal/mol:	-136.94
Dipole, Da:	5.81
IP(EA), eV:	-9.46(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCN1C=NC2=C(C1=O)C=CC(=C2)C#CC3=CC=C(C=C3)C4(COC4)O)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations