Geometry & MOs

Info

ID:	155585
PubChem CID:	56366063
Reduced:	BrSN3O3H18C20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	458.05897
ΔH_f, kcal/mol:	-48.61
Dipole, Da:	3.92
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)CSCC2=COC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations