Geometry & MOs

Info

ID:	401783
PubChem CID:	135052553
Reduced:	NaOSN2C7H7 (1)
Stoich.:	ABCD2E7F7 (1)
Weight, g/mol:	406.01157
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	6.39
IP(EA), eV:	-7.49(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-bis(4-methoxyphenoxy)-1lambda4,2,8-trithia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)N)[S-].[Na+]

DOS

IR

Vibrations