Geometry & MOs

Info

ID:	313268
PubChem CID:	126613179
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	6.25
IP(EA), eV:	-8.94(0.09)
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-(2-methylcyclohexyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations