Geometry & MOs

Info

ID:	88094
PubChem CID:	49900936
Reduced:	BrNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	463.064507
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	5.08
IP(EA), eV:	-9.09(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)Br)/SC2=O

DOS

IR

Vibrations