Geometry & MOs

Info

ID:	194347
PubChem CID:	78520124
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	0.31
Dipole, Da:	2.81
IP(EA), eV:	-8.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=NOCC2=NC(=NO2)C3=CC=CC=C3C)OC

DOS

IR

Vibrations