Geometry & MOs

Info

ID:	136400
PubChem CID:	52033466
Reduced:	O3N5C29H37 (1)
Stoich.:	A3B5C29D37 (1)
Weight, g/mol:	464.224597
ΔH_f, kcal/mol:	-76.19
Dipole, Da:	2.89
IP(EA), eV:	-8.2(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(2S)-2-ethylpiperidin-1-yl]-2-oxoquinoxalin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C2=NC3=CC=CC=C3N(C2=O)CCC(=O)N4CCN(CC4)C5=CC(=CC=C5)OC)C

DOS

IR

Vibrations