Geometry & MOs

Info

ID:	87257
PubChem CID:	49893478
Reduced:	BrSN2O7H21C23 (1)
Stoich.:	ABC2D7E21F23 (1)
Weight, g/mol:	552.03546
ΔH_f, kcal/mol:	-211.75
Dipole, Da:	7.64
IP(EA), eV:	-8.91(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C=C(C=C1Br)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OC

DOS

IR

Vibrations