Geometry & MOs

Info

ID:	350456
PubChem CID:	127277818
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	390.118418
ΔH_f, kcal/mol:	-72.25
Dipole, Da:	2.73
IP(EA), eV:	-8.94(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2CCCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations