Geometry & MOs

Info

ID:	86798
PubChem CID:	49889387
Reduced:	BrFNSO3H17C20 (1)
Stoich.:	ABCDE3F17G20 (1)
Weight, g/mol:	494.95428
ΔH_f, kcal/mol:	-113.62
Dipole, Da:	6.58
IP(EA), eV:	-9.18(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-bromo-2-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations