Geometry & MOs

Info

ID:	143730
PubChem CID:	53253224
Reduced:	ClNPSO8C23H27 (1)
Stoich.:	ABCDE8F23G27 (1)
Weight, g/mol:	441.160994
ΔH_f, kcal/mol:	-385.35
Dipole, Da:	1.06
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(3-tert-butylphenyl)-2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl] acetate

Drug info:

PubChemData

Smile

CCC(OC(COC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC(=CC=C3)Cl)OP(=O)(OC)OC

DOS

IR

Vibrations