Geometry & MOs

Info

ID:

87314

PubChem CID:

49893944

Reduced:

BrS2N3O7H20C26 (1)

Stoich.:

AB2C3D7E20F26 (1)

Weight, g/mol:

513.071608

ΔHf, kcal/mol:

-192.41

Dipole, Da:

10.83

IP(EA), eV:

 -8.96(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)Br

DOS

IR

Vibrations