Geometry & MOs

Info

ID:	137738
PubChem CID:	52255427
Reduced:	ClSO2N4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	352.130218
ΔH_f, kcal/mol:	-38.35
Dipole, Da:	4.55
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(methylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC(=O)NCC2=CC=CS2)C(=O)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations