Geometry & MOs

Info

ID:	288575
PubChem CID:	104320029
Reduced:	FN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	379.9597
ΔH_f, kcal/mol:	-107.02
Dipole, Da:	3.76
IP(EA), eV:	-9.65(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-chloropyridin-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(=O)C3=NC(=CC=C3)F)O

DOS

IR

Vibrations