Geometry & MOs

Info

ID:	87097
PubChem CID:	49892019
Reduced:	BrFSN2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	573.9765
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	3.34
IP(EA), eV:	-9.07(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F)Br

DOS

IR

Vibrations