Geometry & MOs

Info

ID:	88221
PubChem CID:	49902405
Reduced:	NSBr2O4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	481.086305
ΔH_f, kcal/mol:	-85.53
Dipole, Da:	6.31
IP(EA), eV:	-8.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3-chlorophenyl)methyl]-5-[[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Br)OC

DOS

IR

Vibrations