Geometry & MOs

Info

ID:	195231
PubChem CID:	78661548
Reduced:	SN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	404.094369
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	14.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758581
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(C[NH+]4CCOCC4)O

DOS

IR

Vibrations