Geometry & MOs

Info

ID:	171074
PubChem CID:	75323016
Reduced:	BrClNSO3H19C25 (1)
Stoich.:	ABCDE3F19G25 (1)
Weight, g/mol:	453.172228
ΔH_f, kcal/mol:	-43.91
Dipole, Da:	1.09
IP(EA), eV:	-9.34(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)Br)SC2=O

DOS

IR

Vibrations