Geometry & MOs

Info

ID:	273962
PubChem CID:	103806115
Reduced:	SCl2O2N3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	438.93877
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	3.73
IP(EA), eV:	-9.57(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-1-(2,5-dibromothiophene-3-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(SC(=C2)Cl)Cl)C(=O)NCCN

DOS

IR

Vibrations