Geometry & MOs

Info

ID:	447503
PubChem CID:	135283415
Reduced:	IC4H5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	498.083863
ΔH_f, kcal/mol:	29.09
Dipole, Da:	1.48
IP(EA), eV:	-8.98(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)sulfanyl-1-[[4-(oxan-4-yl)phenyl]-thiophen-3-ylmethyl]pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC(C(C=C1)(C)I)I

DOS

IR

Vibrations