Geometry & MOs

Info

ID:	86739
PubChem CID:	49888788
Reduced:	BrNSO4H18C28 (1)
Stoich.:	ABCD4E18F28 (1)
Weight, g/mol:	456.046604
ΔH_f, kcal/mol:	-45.19
Dipole, Da:	4.24
IP(EA), eV:	-9.31(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CC5=CC=CC=C54)Br)/SC2=O

DOS

IR

Vibrations