Geometry & MOs

Info

ID:	350395
PubChem CID:	127277757
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	3.71
IP(EA), eV:	-8.7(-0.31)
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]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations