Geometry & MOs

Info

ID:	313274
PubChem CID:	126613237
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-124.85
Dipole, Da:	6.06
IP(EA), eV:	-8.78(-0.44)
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-(4-phenylmethoxyphenyl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC4=CC=CN5C4=NC=C5

DOS

IR

Vibrations