Geometry & MOs

Info

ID:	141029
PubChem CID:	52805909
Reduced:	N3O3C19H33 (1)
Stoich.:	A3B3C19D33 (1)
Weight, g/mol:	421.159732
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	3.32
IP(EA), eV:	-9.1(0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-fluorophenyl)methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C

DOS

IR

Vibrations