Geometry & MOs

Info

ID:	66854
PubChem CID:	46505381
Reduced:	SCl2N4O4C22H22 (1)
Stoich.:	AB2C4D4E22F22 (1)
Weight, g/mol:	552.02337
ΔH_f, kcal/mol:	-121.75
Dipole, Da:	9.53
IP(EA), eV:	-8.86(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(C(=O)N(C1=S)C2=CC(=C(C=C2)OC)Cl)CC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations