Geometry & MOs

Info

ID:	171140
PubChem CID:	75332769
Reduced:	ClFNSO6H17C24 (1)
Stoich.:	ABCDE6F17G24 (1)
Weight, g/mol:	461.94405
ΔH_f, kcal/mol:	-190.15
Dipole, Da:	2.42
IP(EA), eV:	-8.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)F)Cl)OC(=O)C4=CC=CO4

DOS

IR

Vibrations