Geometry & MOs

Info

ID:

13927

PubChem CID:

400048

Reduced:

BrS2O4N5C29H30 (1)

Stoich.:

AB2C4D5E29F30 (1)

Weight, g/mol:

655.09226

ΔHf, kcal/mol:

-84.27

Dipole, Da:

9.28

IP(EA), eV:

 -8.35(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate;bromide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SC(=O)CCCC[N+]4=CC=CC=C4.[Br-]

DOS

IR

Vibrations