Geometry & MOs

Info

ID:	356191
PubChem CID:	127291227
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-137.7
Dipole, Da:	2.53
IP(EA), eV:	-9.13(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-[4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CSCC1C(=O)NC2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations