Geometry & MOs

Info

ID:	86625
PubChem CID:	49887764
Reduced:	ClNSO6H22C27 (1)
Stoich.:	ABCD6E22F27 (1)
Weight, g/mol:	556.96993
ΔH_f, kcal/mol:	-160.79
Dipole, Da:	5.06
IP(EA), eV:	-8.83(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations