Geometry & MOs

Info

ID:	327290
PubChem CID:	126689419
Reduced:	FSN3O6C22H22 (1)
Stoich.:	ABC3D6E22F22 (1)
Weight, g/mol:	511.141321
ΔH_f, kcal/mol:	-112.95
Dipole, Da:	2.13
IP(EA), eV:	-9.4(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCN1C=NC2=C(C1=O)C=CC(=C2F)C#CC#C[C@@H]3C[C@H]3CO)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations