Geometry & MOs

Info

ID:	194965
PubChem CID:	78613787
Reduced:	BrSO2N3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-4.01
Dipole, Da:	2.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753263
Charge, e:	0

Chem-info

IUPAC name:

5-(6-methoxynaphthalen-2-yl)-5-methyl-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Br)C#N

DOS

IR

Vibrations