Geometry & MOs

Info

ID:	87451
PubChem CID:	49894680
Reduced:	NSO4H21C24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	-89.35
Dipole, Da:	5.55
IP(EA), eV:	-8.76(-0.85)
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]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C=CC4=C3C=C(C=C4)OC)OC)/SC2=O

DOS

IR

Vibrations