Geometry & MOs

Info

ID:	173606
PubChem CID:	75660825
Reduced:	N2O6C15H25 (1)
Stoich.:	A2B6C15D25 (1)
Weight, g/mol:	511.194106
ΔH_f, kcal/mol:	-201.01
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903539
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzenecarboximidate

Drug info:

PubChemData

Smile

COCCNC1C(C(C2COC1O2)[NH2+]CC3=CC=C(O3)CO)O

DOS

IR

Vibrations