Geometry & MOs

Info

ID:	128603
PubChem CID:	51051671
Reduced:	N4O4C15H28 (1)
Stoich.:	A4B4C15D28 (1)
Weight, g/mol:	330.031912
ΔH_f, kcal/mol:	-202.92
Dipole, Da:	1.97
IP(EA), eV:	-9.5(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis(benzylsulfanyl)-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CCC(CC)C([C@@H]1[C@@H](C[C@@H]([C@@H]1O)C(=O)O)N=C(N)N)NC(=O)C

DOS

IR

Vibrations