Geometry & MOs

Info

ID:	44211
PubChem CID:	10502029
Reduced:	SO4N6C18H20 (1)
Stoich.:	AB4C6D18E20 (1)
Weight, g/mol:	416.116778
ΔH_f, kcal/mol:	-77.96
Dipole, Da:	6.86
IP(EA), eV:	-9.05(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-6-(9-methyltetrazolo[1,5-a]quinolin-4-yl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)(C3=CC=C(S3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations