Geometry & MOs

Info

ID:	216954
PubChem CID:	85087030
Reduced:	ClN2O6C12H17 (1)
Stoich.:	AB2C6D12E17 (1)
Weight, g/mol:	318.084284
ΔH_f, kcal/mol:	-280.95
Dipole, Da:	4.94
IP(EA), eV:	-10.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-3-[dimethyl(phenyl)silyl]propanoic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)OC(=O)CCl

DOS

IR

Vibrations