Geometry & MOs

Info

ID:

88578

PubChem CID:

49955507

Reduced:

ClSO3N5C15H23 (1)

Stoich.:

ABC3D5E15F23 (1)

Weight, g/mol:

438.092212

ΔHf, kcal/mol:

13.5

Dipole, Da:

6.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.875788

Charge, e:

 -1

Chem-info

IUPAC name:

N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;chloride

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCCNCC2=CC(=C(C=C2OC)OC)OC.[Cl-]

DOS

IR

Vibrations