Geometry & MOs

Info

ID:	86770
PubChem CID:	49889154
Reduced:	ClNSO5H16C20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	429.103479
ΔH_f, kcal/mol:	-143.37
Dipole, Da:	5.59
IP(EA), eV:	-9.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

COC(=O)COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations