Geometry & MOs

Info

ID:	87392
PubChem CID:	49894477
Reduced:	NSBr2O3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	530.187543
ΔH_f, kcal/mol:	-54.29
Dipole, Da:	3.0
IP(EA), eV:	-9.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OC)Br)/SC2=O

DOS

IR

Vibrations