Geometry & MOs

Info

ID:	69115
PubChem CID:	46519007
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	386.144633
ΔH_f, kcal/mol:	54.94
Dipole, Da:	7.86
IP(EA), eV:	-8.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=CC=C2)SC3=NNC(=N3)CCC4CCCC4

DOS

IR

Vibrations