Geometry & MOs

Info

ID:

88564

PubChem CID:

49955428

Reduced:

ClO2N3C15H17 (1)

Stoich.:

AB2C3D15E17 (1)

Weight, g/mol:

420.126099

ΔHf, kcal/mol:

9.68

Dipole, Da:

3.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.841128

Charge, e:

 -1

Chem-info

IUPAC name:

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine;chloride

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CNCC3=CC=CO3)N(C1=O)C.[Cl-]

DOS

IR

Vibrations