Geometry & MOs

Info

ID:	88490
PubChem CID:	49903847
Reduced:	SN2O5H10C15 (1)
Stoich.:	AB2C5D10E15 (1)
Weight, g/mol:	527.994963
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	7.33
IP(EA), eV:	-9.36(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=CO3)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations