Geometry & MOs

Info

ID:	298730
PubChem CID:	117655009
Reduced:	FN3O4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	484.156912
ΔH_f, kcal/mol:	-176.4
Dipole, Da:	8.25
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[2-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)O)NCCC1=CC=C(C=C1)C2=CC(=C(NC2=O)N)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations