Geometry & MOs

Info

ID:	51346
PubChem CID:	12013999
Reduced:	SN5H15C21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	398.120132
ΔH_f, kcal/mol:	177.31
Dipole, Da:	6.36
IP(EA), eV:	-9.06(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(phenoxymethyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Drug info:

PubChemData

Smile

C1C(=NN2C(=NN=C2S1)C3=CN=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations