Geometry & MOs

Info

ID:	342725
PubChem CID:	127265885
Reduced:	FSN2O4C15H15 (1)
Stoich.:	ABC2D4E15F15 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-136.57
Dipole, Da:	1.14
IP(EA), eV:	-9.44(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-[(4aR,7aS)-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]propylsulfonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1C2=C(C=CO2)C(=O)NCC3=C(C=CC(=C3)S(=O)(=O)N)F

DOS

IR

Vibrations