Geometry & MOs

Info

ID:	40328
PubChem CID:	8143939
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	374.165071
ΔH_f, kcal/mol:	-43.15
Dipole, Da:	2.31
IP(EA), eV:	-8.48(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations