Geometry & MOs

Info

ID:

327267

PubChem CID:

126689371

Reduced:

SN3O6C23H25 (1)

Stoich.:

AB3C6D23E25 (1)

Weight, g/mol:

471.146407

ΔHf, kcal/mol:

-79.52

Dipole, Da:

4.46

IP(EA), eV:

 -9.45(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(C[C@H]1CO)C#CC#CC2=CC3=C(C=C2)C(=O)N(C=N3)CC[C@](C)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations