Geometry & MOs

Info

ID:

88335

PubChem CID:

49902967

Reduced:

ClNS2O5H20C28 (1)

Stoich.:

ABC2D5E20F28 (1)

Weight, g/mol:

619.94782

ΔHf, kcal/mol:

-110.82

Dipole, Da:

7.05

IP(EA), eV:

 -8.91(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)/C=C\4/C(=O)N(C(=O)S4)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations