Geometry & MOs

Info

ID:	352299
PubChem CID:	127283383
Reduced:	SN3O4C13H23 (1)
Stoich.:	AB3C4D13E23 (1)
Weight, g/mol:	352.168145
ΔH_f, kcal/mol:	-182.87
Dipole, Da:	6.34
IP(EA), eV:	-9.8(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]-3-propan-2-ylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCCN1C(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations