Geometry & MOs

Info

ID:	356319
PubChem CID:	127291392
Reduced:	SN2O2C14H24 (1)
Stoich.:	AB2C2D14E24 (1)
Weight, g/mol:	363.172896
ΔH_f, kcal/mol:	-106.66
Dipole, Da:	8.38
IP(EA), eV:	-8.74(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[4-(4-pyridazin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)C2CSCN2C(=O)C(C)(C)C

DOS

IR

Vibrations