Geometry & MOs

Info

ID:	88375
PubChem CID:	49903091
Reduced:	NSCl3O5H16C25 (1)
Stoich.:	ABC3D5E16F25 (1)
Weight, g/mol:	507.01399
ΔH_f, kcal/mol:	-126.36
Dipole, Da:	2.84
IP(EA), eV:	-9.41(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=CC=C3)Cl)Cl)OC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations