Geometry & MOs

Info

ID:	88144
PubChem CID:	49901841
Reduced:	SN2O6H12C17 (1)
Stoich.:	AB2C6D12E17 (1)
Weight, g/mol:	608.09806
ΔH_f, kcal/mol:	-110.3
Dipole, Da:	5.22
IP(EA), eV:	-9.41(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]-N-(2-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=C(C=C3)O)O)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations