Geometry & MOs

Info

ID:	270008
PubChem CID:	103622029
Reduced:	SN3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	108.17
Dipole, Da:	4.35
IP(EA), eV:	-8.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2,4-dimethylphenyl)-2-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=CC3=C(C=C2)N=CS3)C#N

DOS

IR

Vibrations