Geometry & MOs

Info

ID:	87562
PubChem CID:	49895448
Reduced:	FNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	518.114772
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	4.31
IP(EA), eV:	-9.28(-1.08)
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] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=CC=C4F)/SC2=O

DOS

IR

Vibrations