Geometry & MOs

Info

ID:	182089
PubChem CID:	76839891
Reduced:	NOC16H31 (1)
Stoich.:	ABC16D31 (1)
Weight, g/mol:	567.105709
ΔH_f, kcal/mol:	-75.24
Dipole, Da:	2.81
IP(EA), eV:	-8.02(1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-2-[[7-[(1-methylthieno[3,2-e][1,3]benzothiazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]thieno[3,2-e][1,3]benzothiazole

Drug info:

PubChemData

Smile

CCC(=C(C)C(=C(C)C)N(C)C(C)(C)C(C)C)O

DOS

IR

Vibrations