Geometry & MOs

Info

ID:	231348
PubChem CID:	87573523
Reduced:	ClNO2F3H7C10 (1)
Stoich.:	ABC2D3E7F10 (1)
Weight, g/mol:	292.113086
ΔH_f, kcal/mol:	-201.37
Dipole, Da:	4.29
IP(EA), eV:	-10.48(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[benzyl(dimethyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=C(N=C(C=C1)C(F)(F)F)Cl

DOS

IR

Vibrations