Geometry & MOs

Info

ID:	88079
PubChem CID:	49900609
Reduced:	NSO5H21C26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	615.10789
ΔH_f, kcal/mol:	-119.07
Dipole, Da:	5.15
IP(EA), eV:	-9.23(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-bromo-2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)OC)/SC2=O

DOS

IR

Vibrations