Geometry & MOs

Info

ID:	313242
PubChem CID:	126612999
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	398.164185
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	2.73
IP(EA), eV:	-8.86(-0.3)
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-[(1S)-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N[C@H]2CO[C@@H]3[C@@H]2OC[C@H]3C#CC4=CC=CC=C4

DOS

IR

Vibrations