Geometry & MOs

Info

ID:	327284
PubChem CID:	126689401
Reduced:	SN4O5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	475.121335
ΔH_f, kcal/mol:	-65.67
Dipole, Da:	5.28
IP(EA), eV:	-9.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-fluoro-7-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C#CC#CC1=CC2=C(C=C1)C(=O)N(C=N2)CCC(C)(C(=O)NO)S(=O)(=O)C)N

DOS

IR

Vibrations