Geometry & MOs

Info

ID:

88567

PubChem CID:

49955432

Reduced:

ClS2N5C16H19 (1)

Stoich.:

AB2C5D16E19 (1)

Weight, g/mol:

342.115534

ΔHf, kcal/mol:

184.61

Dipole, Da:

5.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.810366

Charge, e:

 -1

Chem-info

IUPAC name:

N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CNCCCSC2=NN=NN2C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations