Geometry & MOs

Info

ID:

87914

PubChem CID:

49898588

Reduced:

IN2S2O7H25C31 (1)

Stoich.:

AB2C2D7E25F31 (1)

Weight, g/mol:

608.107579

ΔHf, kcal/mol:

-164.27

Dipole, Da:

10.05

IP(EA), eV:

 -8.85(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)I)OS(=O)(=O)C5=CC=C(C=C5)NC(=O)C

DOS

IR

Vibrations