Geometry & MOs

Info

ID:

391239

PubChem CID:

135003801

Reduced:

NO4H25C55 (1)

Stoich.:

AB4C25D55 (1)

Weight, g/mol:

493.07111

ΔHf, kcal/mol:

599.82

Dipole, Da:

8.08

IP(EA), eV:

 -8.02(-2.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[7-bromo-2-(2,5-dimethylphenyl)-2-hydroxy-4H-1,4-benzothiazin-3-ylidene]-1-(2,5-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

COC(=O)C1=C(N2C=CC3=CC=CC=C3C2C4C1C5=C6C7=C8C9C1C(=C2C=CC3=C%10C=CC%11=C%12C=CC5=C5C%12=C%12C%11=C%10C%10=C3C2=C1C1=C8C(=C56)C%12=C1%10)C=CC9=C47)C(=O)OC

DOS

IR

Vibrations