Geometry & MOs

Info

ID:	88433
PubChem CID:	49903507
Reduced:	BrSN2O6H21C26 (1)
Stoich.:	ABC2D6E21F26 (1)
Weight, g/mol:	516.05071
ΔH_f, kcal/mol:	-77.7
Dipole, Da:	4.05
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)OCC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations