Geometry & MOs

Info

ID:	60941
PubChem CID:	26703387
Reduced:	ClSN3O5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	452.004709
ΔH_f, kcal/mol:	-144.19
Dipole, Da:	4.66
IP(EA), eV:	-9.02(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C)Cl

DOS

IR

Vibrations