Geometry & MOs

Info

ID:	313253
PubChem CID:	126613074
Reduced:	F3N3O4C20H26 (1)
Stoich.:	A3B3C4D20E26 (1)
Weight, g/mol:	442.09035
ΔH_f, kcal/mol:	-318.2
Dipole, Da:	4.93
IP(EA), eV:	-9.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)O[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC4CCCCC4C(F)(F)F

DOS

IR

Vibrations