Geometry & MOs

Info

ID:	88313
PubChem CID:	49902891
Reduced:	BrSN2O2H25C26 (1)
Stoich.:	ABC2D2E25F26 (1)
Weight, g/mol:	540.135508
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	6.88
IP(EA), eV:	-8.63(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC(=C(C(=C4)C)Br)C)C)/SC2=O

DOS

IR

Vibrations