Geometry & MOs

Info

ID:	88566
PubChem CID:	49955431
Reduced:	ClSN5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	380.077041
ΔH_f, kcal/mol:	171.85
Dipole, Da:	4.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750023
Charge, e:	-1

Chem-info

IUPAC name:

N-[(5-methylthiophen-2-yl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/CNCCCSC2=NN=NN2C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations