Geometry & MOs

Info

ID:	33916
PubChem CID:	7888719
Reduced:	FOSN4H19C21 (1)
Stoich.:	ABCD4E19F21 (1)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	26.0
Dipole, Da:	1.95
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations