Geometry & MOs

Info

ID:	315615
PubChem CID:	126628205
Reduced:	FPN3O7C29H35 (1)
Stoich.:	ABC3D7E29F35 (1)
Weight, g/mol:	340.167459
ΔH_f, kcal/mol:	-348.3
Dipole, Da:	4.56
IP(EA), eV:	-8.46(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,6R,6aR)-6-(3,4-dimethylphenoxy)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=CC2=C(C=C1)N(C=C2C(=O)C)CC(=O)N3C[C@@H](C[C@H]3C(=O)NCC4=CC=CC=C4)F)OCC

DOS

IR

Vibrations