Geometry & MOs

Info

ID:	87706
PubChem CID:	49896678
Reduced:	BrSN2O4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	327.067762
ΔH_f, kcal/mol:	-88.54
Dipole, Da:	1.24
IP(EA), eV:	-9.0(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-2,4-dioxo-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Br

DOS

IR

Vibrations