Geometry & MOs

Info

ID:	355653
PubChem CID:	127289411
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	390.195029
ΔH_f, kcal/mol:	-18.29
Dipole, Da:	4.78
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C34CCC(=O)N3C5=CC=CC=C5S4

DOS

IR

Vibrations