Geometry & MOs

Info

ID:	55575
PubChem CID:	17395583
Reduced:	OSN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	283.146681
ΔH_f, kcal/mol:	11.88
Dipole, Da:	3.34
IP(EA), eV:	-9.03(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N=C1SCCCC#N

DOS

IR

Vibrations