Geometry & MOs

Info

ID:	86555
PubChem CID:	49887093
Reduced:	ClNSO4C23H24 (1)
Stoich.:	ABCD4E23F24 (1)
Weight, g/mol:	540.97502
ΔH_f, kcal/mol:	-127.99
Dipole, Da:	4.42
IP(EA), eV:	-8.47(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OCC

DOS

IR

Vibrations