Geometry & MOs

Info

ID:	59441
PubChem CID:	24869003
Reduced:	SiN2O6C38H62 (1)
Stoich.:	AB2C6D38E62 (1)
Weight, g/mol:	376.963036
ΔH_f, kcal/mol:	-349.02
Dipole, Da:	7.78
IP(EA), eV:	-8.52(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(4-chlorophenyl)-3H-1,2,4-triazol-3-yl]sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](O[C@]12C3=C(CCCC3)N(C2=O)CC4CCCC(C4)N5C6CCCCC6OCC5=O)CCO)[Si](C)(C)C7CCC(CC7)OC

DOS

IR

Vibrations