Geometry & MOs

Info

ID:	394441
PubChem CID:	135023005
Reduced:	NSO7C29H39 (1)
Stoich.:	ABC7D29E39 (1)
Weight, g/mol:	236.064886
ΔH_f, kcal/mol:	-250.36
Dipole, Da:	3.89
IP(EA), eV:	-9.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3,5-difluorophenyl)-3-prop-2-enylfuran-2-one

Drug info:

PubChemData

Smile

CC[C@H]1[C@H](C/C=C\C[C@@H]([C@@H](O1)COS(=O)(=O)C2=CC=C(C=C2)C)OCC(=O)N(C)C)OCC3=CC=CC=C3

DOS

IR

Vibrations