Geometry & MOs

Info

ID:	51344
PubChem CID:	12013997
Reduced:	SN4H20C27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	382.125218
ΔH_f, kcal/mol:	179.01
Dipole, Da:	8.23
IP(EA), eV:	-8.87(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=NN2C(=NN=C2S1)CC3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

DOS

IR

Vibrations