Geometry & MOs

Info

ID:	66885
PubChem CID:	46505455
Reduced:	SN2O2C12H14 (2)
Stoich.:	AB2C2D12E14 (2)
Weight, g/mol:	472.178041
ΔH_f, kcal/mol:	-118.67
Dipole, Da:	7.96
IP(EA), eV:	-8.33(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCNC(=O)C)C3=CC(=CC=C3)SC

DOS

IR

Vibrations