Geometry & MOs

Info

ID:	169705
PubChem CID:	75140507
Reduced:	NSO6C23H23 (1)
Stoich.:	ABC6D23E23 (1)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	-178.19
Dipole, Da:	4.61
IP(EA), eV:	-8.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methylanilino)-4-oxothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1O)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)OC)C(=O)OCC

DOS

IR

Vibrations