Geometry & MOs

Info

ID:

182522

PubChem CID:

76900631

Reduced:

FSO3N8C31H33 (1)

Stoich.:

ABC3D8E31F33 (1)

Weight, g/mol:

560.175436

ΔHf, kcal/mol:

-61.02

Dipole, Da:

5.46

IP(EA), eV:

 -9.15(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-amino-4-[1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propylamino]-6-methylpyrimidin-5-yl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CCC(C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC(=NC(=C4C5=CC(=CN=C5)S(=O)(=O)NC(C)(C)C)C)N

DOS

IR

Vibrations