Geometry & MOs

Info

ID:	124784
PubChem CID:	50895836
Reduced:	NSO4C22H29 (1)
Stoich.:	ABC4D22E29 (1)
Weight, g/mol:	333.045109
ΔH_f, kcal/mol:	-160.72
Dipole, Da:	5.9
IP(EA), eV:	-9.18(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)N(CC(=O)OC(C)C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations