Geometry & MOs

Info

ID:	349162
PubChem CID:	127274888
Reduced:	SO3N7C15H23 (1)
Stoich.:	AB3C7D15E23 (1)
Weight, g/mol:	368.16306
ΔH_f, kcal/mol:	-46.47
Dipole, Da:	5.34
IP(EA), eV:	-9.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations