Geometry & MOs

Info

ID:	87462
PubChem CID:	49894795
Reduced:	NSO5C32H35 (1)
Stoich.:	ABC5D32E35 (1)
Weight, g/mol:	456.099122
ΔH_f, kcal/mol:	-146.75
Dipole, Da:	2.61
IP(EA), eV:	-8.45(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-4-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-3-nitrophenyl] acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)OCCOC4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations