Geometry & MOs

Info

ID:	87640
PubChem CID:	49896186
Reduced:	INSO5H20C26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	523.11233
ΔH_f, kcal/mol:	-91.01
Dipole, Da:	5.33
IP(EA), eV:	-8.96(-1.26)
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-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4I)OC)/SC2=O

DOS

IR

Vibrations