Geometry & MOs

Info

ID:	356421
PubChem CID:	127291494
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	2.07
IP(EA), eV:	-8.95(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations