Geometry & MOs

Info

ID:

171116

PubChem CID:

75329802

Reduced:

SN3O7H27C29 (1)

Stoich.:

AB3C7D27E29 (1)

Weight, g/mol:

603.96097

ΔHf, kcal/mol:

-132.02

Dipole, Da:

6.11

IP(EA), eV:

 -8.73(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OCC(=O)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations