Geometry & MOs

Info

ID:	175421
PubChem CID:	75901859
Reduced:	BrN2O2H21C22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	0.14
Dipole, Da:	2.49
IP(EA), eV:	-9.7(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)C=CC2=CC(=CC=C2)C#N)C3=CC(=CC=C3)Br

DOS

IR

Vibrations