Geometry & MOs

Info

ID:	172332
PubChem CID:	75497053
Reduced:	BrON5H10C13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	281.080968
ΔH_f, kcal/mol:	77.08
Dipole, Da:	6.5
IP(EA), eV:	-9.65(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-6H-1,3,4-thiadiazin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=NN=C2NC(=O)C3=CC(=CN3)Br

DOS

IR

Vibrations