Geometry & MOs

Info

ID:	56607
PubChem CID:	17487178
Reduced:	O2S2N4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	434.200114
ΔH_f, kcal/mol:	28.09
Dipole, Da:	6.54
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-benzyl-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(O2)SCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations