Geometry & MOs

Info

ID:	171238
PubChem CID:	75348255
Reduced:	SN2O6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	546.06128
ΔH_f, kcal/mol:	-133.85
Dipole, Da:	1.97
IP(EA), eV:	-8.68(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCCN2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])SC2=O

DOS

IR

Vibrations