Geometry & MOs

Info

ID:	58550
PubChem CID:	24702284
Reduced:	SN3O4C11H13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	343.99605
ΔH_f, kcal/mol:	-119.53
Dipole, Da:	9.22
IP(EA), eV:	-8.46(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-fluoro-N-quinolin-8-ylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=S)N)OCC(=O)NC(=O)N

DOS

IR

Vibrations