Geometry & MOs

Info

ID:	66880
PubChem CID:	46505441
Reduced:	FSO2N5C30H32 (1)
Stoich.:	ABC2D5E30F32 (1)
Weight, g/mol:	444.102289
ΔH_f, kcal/mol:	-34.53
Dipole, Da:	1.36
IP(EA), eV:	-8.24(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)F)CC(=O)NC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations