Geometry & MOs

Info

ID:	270773
PubChem CID:	103638062
Reduced:	BrON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	317.00851
ΔH_f, kcal/mol:	-2.97
Dipole, Da:	1.77
IP(EA), eV:	-8.91(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-hydroxy-N-(3-methylsulfanylbutyl)benzamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)C1=CC(=CN1)Br)C2CC2

DOS

IR

Vibrations