Geometry & MOs

Info

ID:	86847
PubChem CID:	49889648
Reduced:	BrNSF2O4H20C26 (1)
Stoich.:	ABCD2E4F20G26 (1)
Weight, g/mol:	525.00457
ΔH_f, kcal/mol:	-162.77
Dipole, Da:	5.3
IP(EA), eV:	-9.23(-1.37)
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-methylbenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Br)OCC4=CC=CC=C4F

DOS

IR

Vibrations