Geometry & MOs

Info

ID:	88346
PubChem CID:	49902997
Reduced:	BrNSO5H14C19 (1)
Stoich.:	ABCD5E14F19 (1)
Weight, g/mol:	527.036099
ΔH_f, kcal/mol:	-134.05
Dipole, Da:	4.43
IP(EA), eV:	-9.72(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations