Geometry & MOs

Info

ID:	87381
PubChem CID:	49894359
Reduced:	BrClSN2O6H18C26 (1)
Stoich.:	ABCD2E6F18G26 (1)
Weight, g/mol:	477.104622
ΔH_f, kcal/mol:	-142.51
Dipole, Da:	2.13
IP(EA), eV:	-9.13(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Br)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations