Geometry & MOs

Info

ID:	351463
PubChem CID:	127280351
Reduced:	SN3O3C18H31 (1)
Stoich.:	AB3C3D18E31 (1)
Weight, g/mol:	355.113667
ΔH_f, kcal/mol:	-149.31
Dipole, Da:	3.09
IP(EA), eV:	-8.44(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CSCC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations