Geometry & MOs

Info

ID:	17634
PubChem CID:	509159
Reduced:	SN3H16C21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	342.106494
ΔH_f, kcal/mol:	97.09
Dipole, Da:	1.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.923225
Charge, e:	1

Chem-info

IUPAC name:

2-(9H-fluoren-2-yl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+]4=C(N=C(S4)N)C5=CC=CC=C5

DOS

IR

Vibrations