Geometry & MOs

Info

ID:	66873
PubChem CID:	46505431
Reduced:	ClSO4N5C26H32 (1)
Stoich.:	ABC4D5E26F32 (1)
Weight, g/mol:	506.04235
ΔH_f, kcal/mol:	-97.63
Dipole, Da:	5.08
IP(EA), eV:	-8.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-bromophenyl)acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCN2C(C(=O)N(C2=S)C3=CC(=C(C=C3)OC)Cl)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations