Geometry & MOs

Info

ID:

327270

PubChem CID:

126689375

Reduced:

SN3O6C21H23 (1)

Stoich.:

AB3C6D21E23 (1)

Weight, g/mol:

545.174433

ΔHf, kcal/mol:

-170.94

Dipole, Da:

3.28

IP(EA), eV:

 -9.35(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=CC(=C2)C3=CC=C(C=C3)CO)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations