Geometry & MOs

Info

ID:	215081
PubChem CID:	85084115
Reduced:	Cl2S2N3O8H27C30 (1)
Stoich.:	A2B2C3D8E27F30 (1)
Weight, g/mol:	534.324629
ΔH_f, kcal/mol:	-213.88
Dipole, Da:	3.37
IP(EA), eV:	-8.46(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[2-[1-[10-[4-[2-(2-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-yl]ethenyl]phenol

Drug info:

PubChemData

Smile

CC(=O)N1C2C1C3(C(C4=C(N3C2)C(=O)C(C5(C4=O)OCCO5)(SC6=CC=C(C=C6)Cl)SC7=CC=C(C=C7)Cl)COC(=O)N)OC

DOS

IR

Vibrations