Geometry & MOs

Info

ID:	88312
PubChem CID:	49902889
Reduced:	BrNSO4H20C26 (1)
Stoich.:	ABCD4E20F26 (1)
Weight, g/mol:	508.08201
ΔH_f, kcal/mol:	-16.83
Dipole, Da:	3.3
IP(EA), eV:	-8.78(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(2-methylphenyl)methyl]-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=CC4=CC=CC=C43)Br)OCC#C

DOS

IR

Vibrations