Geometry & MOs

Info

ID:	187058
PubChem CID:	77526764
Reduced:	SO5N6C33H40 (1)
Stoich.:	AB5C6D33E40 (1)
Weight, g/mol:	409.12526
ΔH_f, kcal/mol:	-72.52
Dipole, Da:	8.85
IP(EA), eV:	-8.38(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-bromo-2,4a,7-trimethyl-8aH-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C#CC3=CC(=NC=C3)C(=O)NCC4=CC=C(C=C4)CN(C)C

DOS

IR

Vibrations