Geometry & MOs

Info

ID:	131119
PubChem CID:	51159061
Reduced:	ClSN2O2C16H23 (1)
Stoich.:	ABC2D2E16F23 (1)
Weight, g/mol:	340.04226
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	4.79
IP(EA), eV:	-8.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-bromophenoxy)acetyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations