Geometry & MOs

Info

ID:	352569
PubChem CID:	127283657
Reduced:	FN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-201.05
Dipole, Da:	5.6
IP(EA), eV:	-9.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-[4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CN(CCOC1=CC=C(C=C1)F)C(=O)C2CCC3(CC2)C(=O)NC(=O)N3

DOS

IR

Vibrations