Geometry & MOs

Info

ID:	243224
PubChem CID:	99217224
Reduced:	SO2N5H21C24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	452.07356
ΔH_f, kcal/mol:	52.56
Dipole, Da:	6.78
IP(EA), eV:	-8.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-bromonaphthalen-2-yl)oxy-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CNC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

DOS

IR

Vibrations