Geometry & MOs

Info

ID:	86935
PubChem CID:	49890040
Reduced:	BrFNSO3H13C18 (1)
Stoich.:	ABCDE3F13G18 (1)
Weight, g/mol:	544.94995
ΔH_f, kcal/mol:	-100.43
Dipole, Da:	3.24
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations