Geometry & MOs

Info

ID:	87989
PubChem CID:	49899413
Reduced:	SCl2N2O2H20C27 (1)
Stoich.:	AB2C2D2E20F27 (1)
Weight, g/mol:	576.97502
ΔH_f, kcal/mol:	-8.53
Dipole, Da:	4.77
IP(EA), eV:	-8.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=CC(=C2)Cl)Cl)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations