Geometry & MOs

Info

ID:	204917
PubChem CID:	80031883
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	198.11907
ΔH_f, kcal/mol:	14.89
Dipole, Da:	8.01
IP(EA), eV:	-9.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-methylpyrazol-1-yl)hexane-1-thiol

Drug info:

PubChemData

Smile

CC1=CN(N=C1[N+](=O)[O-])CC(C)(C)CS

DOS

IR

Vibrations