Geometry & MOs

Info

ID:	155859
PubChem CID:	56367911
Reduced:	N2S2O3C21H24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	429.07218
ΔH_f, kcal/mol:	-88.94
Dipole, Da:	5.72
IP(EA), eV:	-8.81(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[3-(butanoylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3CC4=CC=CC=C4S3

DOS

IR

Vibrations