Geometry & MOs

Info

ID:	88400
PubChem CID:	49903298
Reduced:	BrNSF2O4H16C20 (1)
Stoich.:	ABCD2E4F16G20 (1)
Weight, g/mol:	580.06676
ΔH_f, kcal/mol:	-206.98
Dipole, Da:	5.71
IP(EA), eV:	-9.24(-1.23)
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-methoxyphenoxy]-N-(2,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)OC(F)F

DOS

IR

Vibrations