Geometry & MOs

Info

ID:	313267
PubChem CID:	126613177
Reduced:	NO3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-257.26
Dipole, Da:	5.06
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aR)-3-cyano-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3,5-dimethylphenyl)urea

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=C(O1)C=CC(=C2)O[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)NC5CCCCC5)C

DOS

IR

Vibrations