Geometry & MOs

Info

ID:

86998

PubChem CID:

49890395

Reduced:

FSN2O4H25C28 (1)

Stoich.:

ABC2D4E25F28 (1)

Weight, g/mol:

621.95155

ΔHf, kcal/mol:

-130.87

Dipole, Da:

7.44

IP(EA), eV:

 -8.98(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 4-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations