Geometry & MOs

Info

ID:	66843
PubChem CID:	46505364
Reduced:	SN4O5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	526.188606
ΔH_f, kcal/mol:	-160.12
Dipole, Da:	4.73
IP(EA), eV:	-8.34(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[3-(2-acetamidoethyl)-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations