Geometry & MOs

Info

ID:	393734
PubChem CID:	135021574
Reduced:	NO7C23H29 (1)
Stoich.:	AB7C23D29 (1)
Weight, g/mol:	398.09128
ΔH_f, kcal/mol:	-238.58
Dipole, Da:	5.54
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-4-(4-bromophenyl)-2-triethylsilyloxybut-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(ON(C(=C[C@@H]1C(=O)OC(C)(C)C)C)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations