Geometry & MOs

Info

ID:	86627
PubChem CID:	49887775
Reduced:	ClNSO6H20C26 (1)
Stoich.:	ABCD6E20F26 (1)
Weight, g/mol:	576.97502
ΔH_f, kcal/mol:	-154.27
Dipole, Da:	6.6
IP(EA), eV:	-8.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations