Geometry & MOs

Info

ID:	52373
PubChem CID:	12015216
Reduced:	NNaS2O3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	322.034689
ΔH_f, kcal/mol:	-152.73
Dipole, Da:	8.55
IP(EA), eV:	-8.21(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,13-dithia-4,11,15,22-tetrazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),4,6,8,10,14,16,18,20-nonaene

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=S)[O-].[Na+]

DOS

IR

Vibrations