Geometry & MOs

Info

ID:	86550
PubChem CID:	49887001
Reduced:	SN2O5H12C17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	516.171893
ΔH_f, kcal/mol:	-30.11
Dipole, Da:	3.86
IP(EA), eV:	-9.8(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C=C/C3=CC=C(O3)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations