Geometry & MOs

Info

ID:	82186
PubChem CID:	49855734
Reduced:	NSiO5C27H39 (1)
Stoich.:	ABC5D27E39 (1)
Weight, g/mol:	434.212019
ΔH_f, kcal/mol:	-206.42
Dipole, Da:	2.41
IP(EA), eV:	-8.77(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-(difluoromethyl)-3-[[ethyl(dimethyl)silyl]-trimethylsilylmethyl]cyclopent-2-ene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=CC=C(O2)[Si](C)(C)C=C)N(C)C(=O)OC(C)(C)C)OCC3=CC=CC=C3

DOS

IR

Vibrations