Geometry & MOs

Info

ID:	164856
PubChem CID:	74462222
Reduced:	FO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	318.148752
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	6.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794074
Charge, e:	1

Chem-info

IUPAC name:

3-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3)F

DOS

IR

Vibrations