Geometry & MOs

Info

ID:	313264
PubChem CID:	126613174
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	470.2217
ΔH_f, kcal/mol:	-129.14
Dipole, Da:	3.91
IP(EA), eV:	-9.38(-0.37)
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,2S)-2-phenylmethoxycyclohexyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)O[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC4CCC(CC4)C5=CC=CC=C5

DOS

IR

Vibrations