Geometry & MOs

Info

ID:	136670
PubChem CID:	52083322
Reduced:	ClSO2N5H16C19 (1)
Stoich.:	ABC2D5E16F19 (1)
Weight, g/mol:	369.045109
ΔH_f, kcal/mol:	54.91
Dipole, Da:	6.99
IP(EA), eV:	-9.06(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O[C@H](C)C(=O)NC2=NN3C(=NN=C3S2)C4=CC=CC=C4)Cl

DOS

IR

Vibrations