Geometry & MOs

Info

ID:	88802
PubChem CID:	49956877
Reduced:	BrSO3N4C25H31 (1)
Stoich.:	ABC3D4E25F31 (1)
Weight, g/mol:	432.10486
ΔH_f, kcal/mol:	-70.28
Dipole, Da:	8.28
IP(EA), eV:	-8.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C)Br

DOS

IR

Vibrations