Geometry & MOs

Info

ID:	228818
PubChem CID:	87565866
Reduced:	S2O3C6H12 (1)
Stoich.:	A2B3C6D12 (1)
Weight, g/mol:	385.191603
ΔH_f, kcal/mol:	-138.28
Dipole, Da:	2.26
IP(EA), eV:	-9.22(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[7-(3H-1,3-benzoxazol-2-ylidene)hepta-1,3,5-trienyl]-3,4-diethyl-1,3-benzoxazol-3-ium

Drug info:

PubChemData

Smile

CC(C=O)SC(C(CS)O)O

DOS

IR

Vibrations