Geometry & MOs

Info

ID:	32360
PubChem CID:	6436712
Reduced:	NSNa2O6C22H39 (1)
Stoich.:	ABC2D6E22F39 (1)
Weight, g/mol:	405.129969
ΔH_f, kcal/mol:	-329.5
Dipole, Da:	42.43
IP(EA), eV:	-7.91(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z,4E)-4-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-1-phenylbut-2-enylidene]propanedinitrile

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations