Geometry & MOs

Info

ID:	129347
PubChem CID:	51072334
Reduced:	SN3O4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	255.104148
ΔH_f, kcal/mol:	-77.45
Dipole, Da:	5.0
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

COCCN1C=NN=C1SCC2=CC=C(O2)C(=O)OC

DOS

IR

Vibrations