Geometry & MOs

Info

ID:	333927
PubChem CID:	127252479
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	358.205656
ΔH_f, kcal/mol:	-117.89
Dipole, Da:	6.74
IP(EA), eV:	-9.21(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-1-(cyclopentanecarbonyl)-4-[(2-fluorophenyl)methyl]-3a-methyl-3,6,7,7a-tetrahydro-2H-pyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(=O)N1C[C@H]([C@H]2[C@@H]1CCCCN2S(=O)(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations