Geometry & MOs

Info

ID:	86903
PubChem CID:	49889956
Reduced:	ClFNSO5H17C25 (1)
Stoich.:	ABCDE5F17G25 (1)
Weight, g/mol:	620.90795
ΔH_f, kcal/mol:	-156.98
Dipole, Da:	4.96
IP(EA), eV:	-9.23(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 2-bromobenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC(=O)C2=CC=CC=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations