Geometry & MOs

Info

ID:	424831
PubChem CID:	135124126
Reduced:	SF3O3N4H31C35 (1)
Stoich.:	AB3C3D4E31F35 (1)
Weight, g/mol:	367.96579
ΔH_f, kcal/mol:	-158.64
Dipole, Da:	8.38
IP(EA), eV:	-9.06(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(iodomethoxy)-10-oxidophenazin-5-ium 5-oxide

Drug info:

PubChemData

Smile

CC1CC2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)N(C1)CC3=C(C=CC(=C3)/C(=C\C(=O)NC4=CN=CC=C4)/C5=C(C=C(C=C5)C#N)C)C

DOS

IR

Vibrations