Geometry & MOs

Info

ID:	227628
PubChem CID:	87562122
Reduced:	BrSO2N3C9H18 (1)
Stoich.:	ABC2D3E9F18 (1)
Weight, g/mol:	434.08412
ΔH_f, kcal/mol:	-116.19
Dipole, Da:	1.73
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-(6-bromo-2-formylquinolin-8-yl)oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCCNC(=O)C(CS)N)Br

DOS

IR

Vibrations