Geometry & MOs

Info

ID:

327280

PubChem CID:

126689396

Reduced:

SN3O6C23H25 (1)

Stoich.:

AB3C6D23E25 (1)

Weight, g/mol:

471.146407

ΔHf, kcal/mol:

-79.33

Dipole, Da:

3.59

IP(EA), eV:

 -9.43(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations