Geometry & MOs

Info

ID:	47230
PubChem CID:	10530769
Reduced:	AgS2N5O5H16C18 (1)
Stoich.:	AB2C5D5E16F18 (1)
Weight, g/mol:	553.21263
ΔH_f, kcal/mol:	-174.6
Dipole, Da:	14.75
IP(EA), eV:	-8.91(-3.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-[4-(4-octylpiperazin-1-yl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium;bromide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3.[Ag+]

DOS

IR

Vibrations