Geometry & MOs

Info

ID:

144327

PubChem CID:

53350890

Reduced:

ClOSN2C10H18 (1)

Stoich.:

ABCD2E10F18 (1)

Weight, g/mol:

373.00102

ΔHf, kcal/mol:

-27.0

Dipole, Da:

2.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754716

Charge, e:

 -1

Chem-info

IUPAC name:

1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;bromide

Drug info:

PubChemData

Smile

CC(CNCCNCC1=CC=CS1)O.[Cl-]

DOS

IR

Vibrations