Geometry & MOs

Info

ID:	13989
PubChem CID:	401339
Reduced:	SO2F3N4H17C24 (1)
Stoich.:	AB2C3D4E17F24 (1)
Weight, g/mol:	482.102431
ΔH_f, kcal/mol:	-104.06
Dipole, Da:	9.55
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(naphthalen-1-ylmethyl)-1,1-dioxo-4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazin-3-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CNC3=NS(=O)(=O)C4=C(N3C5=CC=CC(=C5)C(F)(F)F)C=CN=C4

DOS

IR

Vibrations