Geometry & MOs

Info

ID:	307044
PubChem CID:	125264769
Reduced:	FN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	336.184921
ΔH_f, kcal/mol:	-173.22
Dipole, Da:	2.79
IP(EA), eV:	-9.55(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5S,7aS)-5-(ethoxymethyl)-N-[(3-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide

Drug info:

PubChemData

Smile

CCOC[C@@H]1CC[C@@H]2[C@H](O1)CCN2C(=O)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations