Geometry & MOs

Info

ID:	86717
PubChem CID:	49888655
Reduced:	ClSN2O6H15C24 (1)
Stoich.:	ABC2D6E15F24 (1)
Weight, g/mol:	524.0445
ΔH_f, kcal/mol:	-79.51
Dipole, Da:	2.48
IP(EA), eV:	-9.52(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 3-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations