Geometry & MOs

Info

ID:	333930
PubChem CID:	127252482
Reduced:	FO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	312.094392
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	4.31
IP(EA), eV:	-9.45(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-1-(4-fluorophenyl)sulfonyl-3a-methyl-2,3,4,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C[C@]12CCN([C@H]1CCC(=O)N2CC3=CC=CC=C3F)C(=O)C4=NC=CN4C

DOS

IR

Vibrations