Geometry & MOs

Info

ID:	171098
PubChem CID:	75328164
Reduced:	SN2O6H16C24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	582.04602
ΔH_f, kcal/mol:	-67.1
Dipole, Da:	7.95
IP(EA), eV:	-9.58(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations