Geometry & MOs

Info

ID:	88399
PubChem CID:	49903271
Reduced:	BrNSCl2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	482.99515
ΔH_f, kcal/mol:	-82.85
Dipole, Da:	4.25
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)OCC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations