Geometry & MOs

Info

ID:	313483
PubChem CID:	126614968
Reduced:	IO5N6C30H35 (1)
Stoich.:	AB5C6D30E35 (1)
Weight, g/mol:	445.182398
ΔH_f, kcal/mol:	-119.47
Dipole, Da:	4.65
IP(EA), eV:	-9.06(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC3=C(C=C12)N=C(N3CC4=CC(=CC=C4)I)NCCNC(=O)C5CC(N(C5(C)C)O)(C)C)C(=O)N

DOS

IR

Vibrations