Geometry & MOs

Info

ID:	387310
PubChem CID:	134984864
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	253.01023
ΔH_f, kcal/mol:	-115.68
Dipole, Da:	4.44
IP(EA), eV:	-9.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2,2-dimethylazetidin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCC[C@]2(C)C=O

DOS

IR

Vibrations