Geometry & MOs

Info

ID:	349050
PubChem CID:	127274776
Reduced:	OSN5C21H29 (1)
Stoich.:	ABC5D21E29 (1)
Weight, g/mol:	396.165369
ΔH_f, kcal/mol:	15.91
Dipole, Da:	3.94
IP(EA), eV:	-8.81(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCCN(CC2)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations