Geometry & MOs

Info

ID:	87725
PubChem CID:	49896824
Reduced:	SN2O2H24C28 (1)
Stoich.:	AB2C2D24E28 (1)
Weight, g/mol:	591.99154
ΔH_f, kcal/mol:	3.17
Dipole, Da:	5.96
IP(EA), eV:	-8.55(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC(=C5)C

DOS

IR

Vibrations