Geometry & MOs

Info

ID:	87429
PubChem CID:	49894583
Reduced:	BrNSO4H18C22 (1)
Stoich.:	ABCD4E18F22 (1)
Weight, g/mol:	570.02603
ΔH_f, kcal/mol:	-36.47
Dipole, Da:	4.98
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC#C)OC)/SC2=O

DOS

IR

Vibrations