Geometry & MOs

Info

ID:	87841
PubChem CID:	49897867
Reduced:	SN2O2H24C26 (1)
Stoich.:	AB2C2D24E26 (1)
Weight, g/mol:	542.061771
ΔH_f, kcal/mol:	-12.97
Dipole, Da:	5.46
IP(EA), eV:	-8.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations