Geometry & MOs

Info

ID:	87420
PubChem CID:	49894538
Reduced:	BrNSO4H18C25 (1)
Stoich.:	ABCD4E18F25 (1)
Weight, g/mol:	440.140593
ΔH_f, kcal/mol:	-73.59
Dipole, Da:	3.62
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]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)OC(=O)C4=CC(=CC=C4)Br)/SC2=O

DOS

IR

Vibrations