Geometry & MOs

Info

ID:	313244
PubChem CID:	126613005
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	398.164185
ΔH_f, kcal/mol:	-69.65
Dipole, Da:	2.67
IP(EA), eV:	-8.57(-0.23)
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-(2,3-dihydro-1H-inden-1-yl)urea

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4/C=C\C5=CSC=C5

DOS

IR

Vibrations