Geometry & MOs

Info

ID:	66888
PubChem CID:	46505460
Reduced:	ClSN4O5C25H29 (1)
Stoich.:	ABC4D5E25F29 (1)
Weight, g/mol:	498.193691
ΔH_f, kcal/mol:	-163.22
Dipole, Da:	5.61
IP(EA), eV:	-8.58(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCNC(=O)C)C3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations