Geometry & MOs

Info

ID:	139017
PubChem CID:	52458213
Reduced:	BrClSN3O3H13C14 (1)
Stoich.:	ABCD3E3F13G14 (1)
Weight, g/mol:	365.213698
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	5.84
IP(EA), eV:	-9.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=NC=C(C=C1)Br)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations