Geometry & MOs

Info

ID:	51345
PubChem CID:	12013998
Reduced:	SN4H18C23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	369.104817
ΔH_f, kcal/mol:	159.72
Dipole, Da:	7.93
IP(EA), eV:	-9.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=NN2C(=NN=C2S1)CC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations