Geometry & MOs

Info

ID:	173535
PubChem CID:	75649306
Reduced:	FON3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	349.148693
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	4.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905713
Charge, e:	1

Chem-info

IUPAC name:

(5-indol-3-ylidene-6-phenyl-1,3,4-thiadiazinan-2-ylidene)-propan-2-ylazanium

Drug info:

PubChemData

Smile

CC(=C1C=CC=[NH+]1)NNC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations