Geometry & MOs

Info

ID:	37532
PubChem CID:	8021967
Reduced:	OSN5C12H21 (1)
Stoich.:	ABC5D12E21 (1)
Weight, g/mol:	283.146681
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	6.22
IP(EA), eV:	-9.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NN=NN2C

DOS

IR

Vibrations