Geometry & MOs

Info

ID:	193927
PubChem CID:	78456909
Reduced:	O3N6C17H17 (1)
Stoich.:	A3B6C17D17 (1)
Weight, g/mol:	419.130363
ΔH_f, kcal/mol:	44.09
Dipole, Da:	6.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.832095
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NN=C(N2N=CC3=CC=CC=C3OCC(=O)[O-])C)C

DOS

IR

Vibrations