Geometry & MOs

Info

ID:	169334
PubChem CID:	75090059
Reduced:	ClN3O9H22C24 (1)
Stoich.:	AB3C9D22E24 (1)
Weight, g/mol:	251.046358
ΔH_f, kcal/mol:	-275.12
Dipole, Da:	5.01
IP(EA), eV:	-10.07(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-ethylsulfinyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) nitrate

Drug info:

PubChemData

Smile

CC(COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)Cl)OC3C(C(C(C(O3)C(=O)O)O)O)O

DOS

IR

Vibrations