Geometry & MOs

Info

ID:	313275
PubChem CID:	126613284
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	442.283158
ΔH_f, kcal/mol:	-83.07
Dipole, Da:	3.49
IP(EA), eV:	-8.55(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-[4-(1-methylcyclohexyl)phenoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

DOS

IR

Vibrations