Geometry & MOs

Info

ID:

297744

PubChem CID:

117628514

Reduced:

SO4N5H23C25 (1)

Stoich.:

AB4C5D23E25 (1)

Weight, g/mol:

758.331564

ΔHf, kcal/mol:

7.57

Dipole, Da:

8.71

IP(EA), eV:

 -8.55(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[6-[[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]propyl-methylamino]cyclohexyl] 9-methylxanthene-9-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3S(=O)(=O)C4=CC=CC=C4)C5=CN(N=C5)C6CCOC6)N=C2

DOS

IR

Vibrations