Geometry & MOs

Info

ID:	87424
PubChem CID:	49894570
Reduced:	BrNSO2H14C18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	587.07659
ΔH_f, kcal/mol:	-23.02
Dipole, Da:	2.15
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)Br)/SC2=O

DOS

IR

Vibrations