Geometry & MOs

Info

ID:	171058
PubChem CID:	75318387
Reduced:	FN2S2O4H9C15 (1)
Stoich.:	AB2C2D4E9F15 (1)
Weight, g/mol:	555.98592
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	4.63
IP(EA), eV:	-9.95(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])SC2=O)F

DOS

IR

Vibrations