Geometry & MOs

Info

ID:	350409
PubChem CID:	127277771
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	381.208613
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	6.87
IP(EA), eV:	-8.52(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2CCC3=NC(=CN3C2)C(C)(C)C

DOS

IR

Vibrations