Geometry & MOs

Info

ID:	391728
PubChem CID:	135008970
Reduced:	O2C29H36 (1)
Stoich.:	A2B29C36 (1)
Weight, g/mol:	742.25157
ΔH_f, kcal/mol:	-38.37
Dipole, Da:	1.97
IP(EA), eV:	-8.42(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(2Z)-2-[(E)-3-(3-undecyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazol-3-yl]undecanoate

Drug info:

PubChemData

Smile

C[C@@]1(C2=C(C=CC(=C2)C(C)(C)C)OC=C1OC(=C)C(C)(C)C)C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations