Geometry & MOs

Info

ID:	171163
PubChem CID:	75336950
Reduced:	NS2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	498.146072
ΔH_f, kcal/mol:	-145.78
Dipole, Da:	2.5
IP(EA), eV:	-9.02(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C(=CC2=CC=C(O2)SC3=CC=C(C=C3)C)SC1=O

DOS

IR

Vibrations