Geometry & MOs

Info

ID:	86909
PubChem CID:	49889964
Reduced:	FNSO3C28H28 (1)
Stoich.:	ABCD3E28F28 (1)
Weight, g/mol:	589.94695
ΔH_f, kcal/mol:	-132.89
Dipole, Da:	2.46
IP(EA), eV:	-8.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)/C=C\5/C(=O)N(C(=O)S5)CC6=CC=C(C=C6)F

DOS

IR

Vibrations