Geometry & MOs

Info

ID:	88352
PubChem CID:	49903024
Reduced:	ClFNSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	555.073636
ΔH_f, kcal/mol:	-131.03
Dipole, Da:	4.66
IP(EA), eV:	-8.96(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC4=CC=C(C=C4)F)OC)/SC2=O

DOS

IR

Vibrations