Geometry & MOs

Info

ID:	313263
PubChem CID:	126613169
Reduced:	NO2C14H14 (2)
Stoich.:	AB2C14D14 (2)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-75.68
Dipole, Da:	4.92
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-(2-methylpyridin-3-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(4-phenylcyclohexyl)urea

Drug info:

PubChemData

Smile

C1[C@H](C2[C@H](O1)[C@H](CO2)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)/C=C\C5=CC=CC=C5

DOS

IR

Vibrations