Geometry & MOs

Info

ID:	315097
PubChem CID:	126624424
Reduced:	SF2N6O8C29H34 (1)
Stoich.:	AB2C6D8E29F34 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-302.65
Dipole, Da:	3.37
IP(EA), eV:	-9.45(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C[C@H](C(CO)OC([C@H](CN1C=C(N=N1)C2=CC(=CC=C2)F)O)SC3C(C(C(C(O3)CO)O)N4C=C(N=N4)C5=CC(=CC=C5)F)O)O

DOS

IR

Vibrations