Geometry & MOs

Info

ID:	43202
PubChem CID:	10319500
Reduced:	BrMgNO3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	412.206986
ΔH_f, kcal/mol:	-143.79
Dipole, Da:	8.26
IP(EA), eV:	-8.75(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxyhept-4-enoate

Drug info:

PubChemData

Smile

C[C@H](/C=C(/N1[C@@H](COC1=O)C2=CC=CC=C2)\[O-])C3=CC=CC=C3.[Mg+2].[Br-]

DOS

IR

Vibrations