Geometry & MOs

Info

ID:	313236
PubChem CID:	126612918
Reduced:	F3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	338.164185
ΔH_f, kcal/mol:	-312.2
Dipole, Da:	3.02
IP(EA), eV:	-8.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-tert-butylurea

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)O[C@@H]2CCC3=C2C=CC=C3OC(F)(F)F)[C@@H]4C[C@H]4C(=O)OC

DOS

IR

Vibrations