Geometry & MOs

Info

ID:	46095
PubChem CID:	10521481
Reduced:	BrNO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	346.108624
ΔH_f, kcal/mol:	-9.92
Dipole, Da:	3.57
IP(EA), eV:	-8.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4,4-dimethoxy-3-methylsulfonyloxybutyl)benzoate

Drug info:

PubChemData

Smile

C1C(ON=C1C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations