Geometry & MOs

Info

ID:	219040
PubChem CID:	85090400
Reduced:	PO10C26H39 (1)
Stoich.:	AB10C26D39 (1)
Weight, g/mol:	542.129377
ΔH_f, kcal/mol:	-516.85
Dipole, Da:	5.01
IP(EA), eV:	-9.39(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Drug info:

PubChemData

Smile

CCCOP(=O)(OC1C2C(C(C3C1OC(O3)(C)C)OC4CCCCO4)OC(O2)(C)C)OC5=CC=CC=C5

DOS

IR

Vibrations