Geometry & MOs

Info

ID:

225898

PubChem CID:

87235973

Reduced:

S3N5O6C21H25 (1)

Stoich.:

A3B5C6D21E25 (1)

Weight, g/mol:

537.081047

ΔHf, kcal/mol:

-162.75

Dipole, Da:

2.6

IP(EA), eV:

 -8.85(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(3E)-3-[1-(cyclopropylmethylamino)-2,4-dioxoquinolin-3-ylidene]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]ethanesulfonamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NCC1=CSC2=C1S(N/C(=C\3/C(=O)C4=CC=CC=C4N(C3=O)NCC5CC5)/N2)(O)O

DOS

IR

Vibrations