Geometry & MOs

Info

ID:	356414
PubChem CID:	127291487
Reduced:	SO2N3C18H31 (1)
Stoich.:	AB2C3D18E31 (1)
Weight, g/mol:	393.183461
ΔH_f, kcal/mol:	-97.21
Dipole, Da:	0.99
IP(EA), eV:	-8.94(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]-2-methylbutan-1-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)NC2CCN(CC2)CC3CC3

DOS

IR

Vibrations