Geometry & MOs

Info

ID:	78599
PubChem CID:	49700602
Reduced:	S2O3N5C18H23 (1)
Stoich.:	A2B3C5D18E23 (1)
Weight, g/mol:	485.101389
ΔH_f, kcal/mol:	-47.45
Dipole, Da:	6.46
IP(EA), eV:	-8.86(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOCC(=O)N1CCN(CC1)C2=NN=C(S2)SCC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations