Geometry & MOs

Info

ID:	136397
PubChem CID:	52032863
Reduced:	BrSO2N4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-13.89
Dipole, Da:	4.16
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoquinoxalin-1-yl]-N-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CSCCN1C2=NC3=CC=CC=C3N(C2=O)CCC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations