Geometry & MOs

Info

ID:

185210

PubChem CID:

77270772

Reduced:

O2N3C25H29 (1)

Stoich.:

A2B3C25D29 (1)

Weight, g/mol:

490.167477

ΔHf, kcal/mol:

-48.82

Dipole, Da:

5.0

IP(EA), eV:

 -9.17(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[(2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C1=CC2=C(CC3C(C2(CCN3C(=O)C4=CC5=C(C=C4)N=CN5)C)(C)C)C=C1)O

DOS

IR

Vibrations