Geometry & MOs

Info

ID:	228445
PubChem CID:	87564521
Reduced:	ClSBr2N3O4H14C16 (1)
Stoich.:	ABC2D3E4F14G16 (1)
Weight, g/mol:	355.097521
ΔH_f, kcal/mol:	-125.43
Dipole, Da:	6.27
IP(EA), eV:	-9.59(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)C(=O)NC(=O)N(C2=CC=C(C=C2)C(=O)N)S)Br.Cl

DOS

IR

Vibrations