Geometry & MOs

Info

ID:	86914
PubChem CID:	49889981
Reduced:	BrFNSO4H19C25 (1)
Stoich.:	ABCDE4F19G25 (1)
Weight, g/mol:	574.96051
ΔH_f, kcal/mol:	-111.99
Dipole, Da:	4.02
IP(EA), eV:	-9.1(-1.36)
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] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations