Geometry & MOs

Info

ID:	87676
PubChem CID:	49896464
Reduced:	SN2O2H22C24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	503.140259
ΔH_f, kcal/mol:	-17.45
Dipole, Da:	8.34
IP(EA), eV:	-8.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=CC=C4)C)/SC2=O

DOS

IR

Vibrations