Geometry & MOs

Info

ID:	402858
PubChem CID:	135057581
Reduced:	BrNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	375.01399
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	2.83
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-5-bromo-3-(4-methylphenyl)sulfonyl-4-propyl-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2[C@]3([C@@]1(OCC3)C4=CC=CC=C4)Br

DOS

IR

Vibrations