Geometry & MOs

Info

ID:	356268
PubChem CID:	127291341
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-96.7
Dipole, Da:	7.02
IP(EA), eV:	-8.68(-0.34)
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]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)NC3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations