Geometry & MOs

Info

ID:	192911
PubChem CID:	78323869
Reduced:	O3N8C24H26 (1)
Stoich.:	A3B8C24D26 (1)
Weight, g/mol:	329.054421
ΔH_f, kcal/mol:	9.37
Dipole, Da:	0.94
IP(EA), eV:	-8.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4H-1,4-benzothiazine-3-thione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=C3C(=NC(=N2)NC4=CC=CC=C4)N(C=N3)CC(=O)NCCCCC(=O)NO

DOS

IR

Vibrations