Geometry & MOs

Info

ID:	66886
PubChem CID:	46505456
Reduced:	SN4O5C23H28 (1)
Stoich.:	AB4C5D23E28 (1)
Weight, g/mol:	540.204256
ΔH_f, kcal/mol:	-159.61
Dipole, Da:	5.3
IP(EA), eV:	-8.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCNC(=O)C)CC3=CC=CO3

DOS

IR

Vibrations