Geometry & MOs

Info

ID:	306890
PubChem CID:	125264207
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	345.160103
ΔH_f, kcal/mol:	-38.81
Dipole, Da:	3.47
IP(EA), eV:	-9.22(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,3aS,7aS)-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

CN(CC1=CC=CO1)[C@@H]2CN([C@@H]3[C@H]2OCCC3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations