Geometry & MOs

Info

ID:	352566
PubChem CID:	127283654
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-131.64
Dipole, Da:	4.92
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CSCC1C(=O)NC2=CC(=CC=C2)N3CCCC3=O

DOS

IR

Vibrations