Geometry & MOs

Info

ID:	171331
PubChem CID:	75361190
Reduced:	FNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	316.97213
ΔH_f, kcal/mol:	-172.92
Dipole, Da:	4.32
IP(EA), eV:	-9.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3-bromothiophene-2-carbonyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)CCC2=CC=C(C=C2)F)C(=O)O

DOS

IR

Vibrations