Geometry & MOs

Info

ID:	313245
PubChem CID:	126613008
Reduced:	FN2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-169.31
Dipole, Da:	2.81
IP(EA), eV:	-9.13(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-(2-ethyl-6-methylpyridin-3-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1NC(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4OC5=CC=C(C=C5)F

DOS

IR

Vibrations