Geometry & MOs

Info

ID:	258415
PubChem CID:	103153590
Reduced:	BrNSO5C12H16 (1)
Stoich.:	ABCD5E12F16 (1)
Weight, g/mol:	231.074287
ΔH_f, kcal/mol:	-190.29
Dipole, Da:	6.76
IP(EA), eV:	-10.27(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dioxomorpholin-4-yl)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NCC(CC(=O)O)OC)Br

DOS

IR

Vibrations