Geometry & MOs

Info

ID:	87062
PubChem CID:	49891469
Reduced:	BrFNSO3H13C18 (1)
Stoich.:	ABCDE3F13G18 (1)
Weight, g/mol:	544.041036
ΔH_f, kcal/mol:	-98.24
Dipole, Da:	3.45
IP(EA), eV:	-9.2(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Br

DOS

IR

Vibrations