Geometry & MOs

Info

ID:

88467

PubChem CID:

49903634

Reduced:

SN2O5H20C28 (1)

Stoich.:

AB2C5D20E28 (1)

Weight, g/mol:

630.97187

ΔHf, kcal/mol:

-17.72

Dipole, Da:

9.9

IP(EA), eV:

 -9.19(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)COC3=CC=CC=C3/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations