Geometry & MOs

Info

ID:

88504

PubChem CID:

49903922

Reduced:

BrClN2S2O7H14C23 (1)

Stoich.:

ABC2D2E7F14G23 (1)

Weight, g/mol:

473.0529

ΔHf, kcal/mol:

-114.53

Dipole, Da:

9.17

IP(EA), eV:

 -9.47(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-methoxy-2-nitro-4-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl)Br)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations