Geometry & MOs

Info

ID:	184117
PubChem CID:	77112492
Reduced:	BrSN2O2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	37.26
Dipole, Da:	13.11
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2-methylbutyl)-4-oxo-4aH-quinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)SCC2NC(=C3C=CC(=O)C=C3)ON2)Br

DOS

IR

Vibrations