Geometry & MOs

Info

ID:	394322
PubChem CID:	135022766
Reduced:	N2S2O3C34H42 (1)
Stoich.:	A2B2C3D34E42 (1)
Weight, g/mol:	590.263686
ΔH_f, kcal/mol:	-46.35
Dipole, Da:	5.78
IP(EA), eV:	-7.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-3,4-bis[(Z)-(3-hexyl-1,3-benzothiazol-2-ylidene)methyl]cyclobutane-1,2-dione

Drug info:

PubChemData

Smile

CCCCCCN\1C2=CC=CC=C2S/C1=C\C3=C(C(=O)C3(/C=C\4/N(C5=CC=CC=C5S4)CCCCCC)OCC)O

DOS

IR

Vibrations