Geometry & MOs

Info

ID:

88577

PubChem CID:

49955503

Reduced:

SCl2N5C16H16 (1)

Stoich.:

AB2C5D16E16 (1)

Weight, g/mol:

388.121014

ΔHf, kcal/mol:

162.05

Dipole, Da:

6.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.808480

Charge, e:

 -1

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-1-amine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC=CC=C3Cl.[Cl-]

DOS

IR

Vibrations