Geometry & MOs

Info

ID:	229932
PubChem CID:	87569573
Reduced:	FN5O6C22H26 (1)
Stoich.:	AB5C6D22E26 (1)
Weight, g/mol:	434.163261
ΔH_f, kcal/mol:	-182.65
Dipole, Da:	5.0
IP(EA), eV:	-8.57(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-2-pyridin-4-ylsulfanyl-N-(thiophen-3-ylmethyl)ethanethioamide

Drug info:

PubChemData

Smile

C[C@H]1CO[C@H](CO1)CC(=O)N/C(=C\2/C=C(NC(=N2)C)C(=O)NCC3=CC(=C(C=C3)F)OC)/N=O

DOS

IR

Vibrations