Geometry & MOs

Info

ID:	87626
PubChem CID:	49896012
Reduced:	FNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	507.01399
ΔH_f, kcal/mol:	-87.07
Dipole, Da:	3.9
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)F)/SC2=O

DOS

IR

Vibrations