Geometry & MOs

Info

ID:	88429
PubChem CID:	49903495
Reduced:	BrClSN2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	582.9685
ΔH_f, kcal/mol:	-77.77
Dipole, Da:	0.89
IP(EA), eV:	-9.1(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations