Geometry & MOs

Info

ID:

87516

PubChem CID:

49895177

Reduced:

BrN2S2O7H23C27 (1)

Stoich.:

AB2C2D7E23F27 (1)

Weight, g/mol:

586.063521

ΔHf, kcal/mol:

-201.42

Dipole, Da:

6.96

IP(EA), eV:

 -8.92(-1.18)

Spin(Sz, 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-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C)OC)/SC2=O

DOS

IR

Vibrations