Geometry & MOs

Info

ID:	174197
PubChem CID:	75739243
Reduced:	SO2N5C25H34 (1)
Stoich.:	AB2C5D25E34 (1)
Weight, g/mol:	450.250515
ΔH_f, kcal/mol:	12.32
Dipole, Da:	8.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.854334
Charge, e:	1

Chem-info

IUPAC name:

2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCC4

DOS

IR

Vibrations