Geometry & MOs

Info

ID:	88055
PubChem CID:	49900300
Reduced:	BrNSCl2O5H16C21 (1)
Stoich.:	ABCD2E5F16G21 (1)
Weight, g/mol:	527.036099
ΔH_f, kcal/mol:	-154.44
Dipole, Da:	4.93
IP(EA), eV:	-9.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations