Geometry & MOs

Info

ID:	128811
PubChem CID:	51059171
Reduced:	BrN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	282.082684
ΔH_f, kcal/mol:	-99.2
Dipole, Da:	7.18
IP(EA), eV:	-8.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-5-phenyl-4H-1,3,4-thiadiazine

Drug info:

PubChemData

Smile

CCCN1C=[N+](C2=CC=CC=C2C1=O)CC(=O)C(C)(C)C.[Br-]

DOS

IR

Vibrations