Geometry & MOs

Info

ID:	124227
PubChem CID:	50875526
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	548.064669
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	5.9
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5E)-5-[1-[2-(N-ethylanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3CCN(CC3)C

DOS

IR

Vibrations