Geometry & MOs

Info

ID:	317873
PubChem CID:	126646698
Reduced:	NF3O3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	391.082265
ΔH_f, kcal/mol:	-219.84
Dipole, Da:	7.17
IP(EA), eV:	-9.17(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,6S,6aR)-6-(2-chloro-4-nitrophenoxy)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

Drug info:

PubChemData

Smile

C1C2=C(COC1=O)C=CC(=C2)OCCCN(CC3=CC=CC=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations