Geometry & MOs

Info

ID:	232577
PubChem CID:	87576453
Reduced:	OPC12H20 (1)
Stoich.:	ABC12D20 (1)
Weight, g/mol:	542.187543
ΔH_f, kcal/mol:	-3.19
Dipole, Da:	1.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.889318
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[4-[(Z)-1-(3,5-dimethylphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C=CC[P+](CC=C)(CC=C)C(C=C)O

DOS

IR

Vibrations