Geometry & MOs

Info

ID:	392597
PubChem CID:	135017304
Reduced:	NSiO3C13H27 (1)
Stoich.:	ABC3D13E27 (1)
Weight, g/mol:	276.079787
ΔH_f, kcal/mol:	-125.51
Dipole, Da:	4.77
IP(EA), eV:	-8.9(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,7aR)-6-fluoro-4-phenylmethoxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCCC=CC[N+](=O)[O-]

DOS

IR

Vibrations