Geometry & MOs

Info

ID:	87575
PubChem CID:	49895589
Reduced:	BrNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	488.155849
ΔH_f, kcal/mol:	-70.84
Dipole, Da:	4.88
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3-methylphenyl)methyl]-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=CC=C3)OC)OCC4=CC=C(C=C4)Br)/SC2=O

DOS

IR

Vibrations