Geometry & MOs

Info

ID:	394443
PubChem CID:	135023007
Reduced:	NSiF3O4C25H36 (1)
Stoich.:	ABC3D4E25F36 (1)
Weight, g/mol:	256.14633
ΔH_f, kcal/mol:	-375.96
Dipole, Da:	5.04
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-tert-butylphenyl)-3-prop-2-enylfuran-2-one

Drug info:

PubChemData

Smile

CC[C@H]([C@@H]([C@@H](C=C)O[Si](C)(C)C(C)(C)C)C(=O)N1[C@H](COC1=O)CC2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations