Geometry & MOs

Info

ID:	87396
PubChem CID:	49894482
Reduced:	FNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	543.057707
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	3.18
IP(EA), eV:	-9.08(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-6-methoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)F)/SC2=O

DOS

IR

Vibrations