Geometry & MOs

Info

ID:	140273
PubChem CID:	52672865
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	470.06234
ΔH_f, kcal/mol:	-15.73
Dipole, Da:	4.36
IP(EA), eV:	-8.84(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](CNC(=O)CN(C)CC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations