Geometry & MOs

Info

ID:	306891
PubChem CID:	125264208
Reduced:	FO2N5C17H20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	345.160103
ΔH_f, kcal/mol:	-61.83
Dipole, Da:	2.56
IP(EA), eV:	-8.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,3aS,7aR)-1-(5-fluoropyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N[C@@H]2CN([C@@H]3[C@H]2OCCC3)C4=NC=C(C=N4)F

DOS

IR

Vibrations